# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Ni-Pt # implementation = 2017--Kim-J-S--Ni-Pt--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 Ni Ni Ni Pt Pt Pt 0.02 1.192811351e+03 2.607083078e+03 1.089998060e+04 0.04 1.123164102e+03 2.454897185e+03 1.020280507e+04 0.06 1.057435218e+03 2.311300995e+03 9.548989198e+03 0.08 9.954101019e+02 2.175822449e+03 8.935899619e+03 0.10 9.368856441e+02 2.048014822e+03 8.361059656e+03 0.12 8.816696208e+02 1.927455399e+03 7.822140149e+03 0.14 8.295801227e+02 1.813744209e+03 7.316950828e+03 0.16 7.804450126e+02 1.706502830e+03 6.843432184e+03 0.18 7.341014112e+02 1.605373254e+03 6.399647800e+03 0.20 6.903952093e+02 1.510016811e+03 5.983777132e+03 0.22 6.491806055e+02 1.420113143e+03 5.594108705e+03 0.24 6.103196675e+02 1.335359243e+03 5.229033697e+03 0.26 5.736819165e+02 1.255468531e+03 4.887039904e+03 0.28 5.391439328e+02 1.180169986e+03 4.566706042e+03 0.30 5.065889821e+02 1.109207319e+03 4.266696392e+03 0.32 4.759066609e+02 1.042338191e+03 3.985755742e+03 0.34 4.469925607e+02 9.793334717e+02 3.722704633e+03 0.36 4.197479499e+02 9.199765351e+02 3.476434880e+03 0.38 3.940794710e+02 8.640625930e+02 3.245905344e+03 0.40 3.698988555e+02 8.113980630e+02 3.030137963e+03 0.42 3.471226517e+02 7.617999698e+02 2.828214007e+03 0.44 3.256719686e+02 7.150953773e+02 2.639270549e+03 0.46 3.054722316e+02 6.711208509e+02 2.462497150e+03 0.48 2.864529518e+02 6.297219477e+02 2.297132731e+03 0.50 2.685475076e+02 5.907527333e+02 2.142462629e+03 0.52 2.516929370e+02 5.540753246e+02 1.997815829e+03 0.54 2.358297413e+02 5.195594559e+02 1.862562353e+03 0.56 2.209016993e+02 4.870820684e+02 1.736110806e+03 0.58 2.068556905e+02 4.565269209e+02 1.617906065e+03 0.60 1.936415286e+02 4.277842216e+02 1.507427102e+03 0.62 1.812118031e+02 4.007502786e+02 1.404184940e+03 0.64 1.695217293e+02 3.753271698e+02 1.307720721e+03 0.66 1.585290067e+02 3.514224291e+02 1.217603896e+03 0.68 1.481936841e+02 3.289487507e+02 1.133430521e+03 0.70 1.384780329e+02 3.078237077e+02 1.054821647e+03 0.72 1.293464261e+02 2.879694865e+02 9.814218104e+02 0.74 1.207652241e+02 2.693126350e+02 9.128976149e+02 0.76 1.127026669e+02 2.517838246e+02 8.489363919e+02 0.78 1.051287716e+02 2.353176241e+02 7.892449440e+02 0.80 9.801523555e+01 2.198522864e+02 7.335483618e+02 0.82 9.133534436e+01 2.053295464e+02 6.815889119e+02 0.84 8.506388542e+01 1.916944295e+02 6.331249904e+02 0.86 7.917706550e+01 1.788950708e+02 5.879301389e+02 0.88 7.365243296e+01 1.668825434e+02 5.457921196e+02 0.90 6.846880414e+01 1.556106965e+02 5.065120452e+02 0.92 6.360619366e+01 1.450360017e+02 4.699035612e+02 0.94 5.904574843e+01 1.351174082e+02 4.357920769e+02 0.96 5.476968530e+01 1.258162051e+02 4.040140425e+02 0.98 5.076123196e+01 1.170958915e+02 3.744162702e+02 1.00 4.700457111e+01 1.089220538e+02 3.468552949e+02 1.02 4.348478755e+01 1.012622494e+02 3.211967747e+02 1.04 4.018781824e+01 9.408589651e+01 2.973149267e+02 1.06 3.710040495e+01 8.736417050e+01 2.750919970e+02 1.08 3.421004953e+01 8.106990535e+01 2.544177629e+02 1.10 3.150497161e+01 7.517750077e+01 2.351890651e+02 1.12 2.897406860e+01 6.966283432e+01 2.173093680e+02 1.14 2.660687777e+01 6.450317828e+01 2.006883472e+02 1.16 2.439354057e+01 5.967712115e+01 1.852415017e+02 1.18 2.232476870e+01 5.516449338e+01 1.708897895e+02 1.20 2.039181218e+01 5.094629724e+01 1.575592860e+02 1.22 1.858642909e+01 4.700464052e+01 1.451808627e+02 1.24 1.690085697e+01 4.332267390e+01 1.336898855e+02 1.26 1.532778583e+01 3.988453173e+01 1.230259323e+02 1.28 1.386033258e+01 3.667527618e+01 1.131325264e+02 1.30 1.249201690e+01 3.368084441e+01 1.039568879e+02 1.32 1.121673844e+01 3.088799868e+01 9.544969918e+01 1.34 1.002875525e+01 2.828427929e+01 8.756488527e+01 1.36 8.922663442e+00 2.585796007e+01 8.025940793e+01 1.38 7.893377924e+00 2.359800646e+01 7.349307208e+01 1.40 6.936114238e+00 2.149403579e+01 6.722834443e+01 1.42 6.046371389e+00 1.953627995e+01 6.143018331e+01 1.44 5.219915627e+00 1.771555001e+01 5.606587902e+01 1.46 4.452765132e+00 1.602320297e+01 5.110490417e+01 1.48 3.741175555e+00 1.445111028e+01 4.651877328e+01 1.50 3.081626353e+00 1.299162814e+01 4.228091120e+01 1.52 2.470807903e+00 1.163756957e+01 3.836652974e+01 1.54 1.905609319e+00 1.038217789e+01 3.475251203e+01 1.56 1.383106965e+00 9.219101690e+00 3.141730417e+01 1.58 9.005536058e-01 8.142371012e+00 2.834081365e+01 1.60 4.553681649e-01 7.146374531e+00 2.550431425e+01 1.62 4.512606513e-02 6.225837320e+00 2.289035693e+01 1.64 -3.324498903e-01 5.375798712e+00 2.048268634e+01 1.66 -6.794981195e-01 4.591589515e+00 1.826616274e+01 1.68 -9.980263756e-01 3.868807640e+00 1.622668881e+01 1.70 -1.289919399e+00 3.203291049e+00 1.435114119e+01 1.72 -1.556946131e+00 2.591086859e+00 1.262730647e+01 1.74 -1.800766519e+00 2.028415610e+00 1.104382122e+01 1.76 -2.022937925e+00 1.511630169e+00 9.590116043e+00 1.78 -2.224921173e+00 1.037169592e+00 8.256363135e+00 1.80 -2.408086242e+00 6.015095429e-01 7.033427402e+00 1.82 -2.573717646e+00 2.011126190e-01 5.912820742e+00 1.84 -2.723019498e+00 -1.676159472e-01 4.886659381e+00 1.86 -2.857120297e+00 -5.083592533e-01 3.947624057e+00 1.88 -2.977077443e+00 -8.248957969e-01 3.088922880e+00 1.90 -3.083881509e+00 -1.121069691e+00 2.304256710e+00 1.92 -3.178460268e+00 -1.400709693e+00 1.587786894e+00 1.94 -3.261682508e+00 -1.667483794e+00 9.341052059e-01 1.96 -3.334361635e+00 -1.924682089e+00 3.382058601e-01 1.98 -3.397259067e+00 -2.174934389e+00 -2.045405506e-01 2.00 -3.451087443e+00 -2.419892963e+00 -6.984113290e-01 2.02 -3.496513644e+00 -2.659943012e+00 -1.147354289e+00 2.04 -3.534161630e+00 -2.894034190e+00 -1.555008855e+00 2.06 -3.564615109e+00 -3.119735343e+00 -1.924725771e+00 2.08 -3.588420037e+00 -3.333578012e+00 -2.259585564e+00 2.10 -3.606086955e+00 -3.531664389e+00 -2.562415904e+00 2.12 -3.618093175e+00 -3.710401773e+00 -2.835807984e+00 2.14 -3.624884828e+00 -3.867152467e+00 -3.082132078e+00 2.16 -3.626878764e+00 -4.000611306e+00 -3.303552404e+00 2.18 -3.624464339e+00 -4.110837934e+00 -3.502041417e+00 2.20 -3.618005082e+00 -4.199007363e+00 -3.679393654e+00 2.22 -3.607840247e+00 -4.267022299e+00 -3.837239227e+00 2.24 -3.594286282e+00 -4.317127907e+00 -3.977057020e+00 2.26 -3.577638200e+00 -4.351614245e+00 -4.100187630e+00 2.28 -3.558170870e+00 -4.372630031e+00 -4.207846038e+00 2.30 -3.536140236e+00 -4.382091804e+00 -4.301133945e+00 2.32 -3.511784471e+00 -4.381658301e+00 -4.381051675e+00 2.34 -3.485325064e+00 -4.372741812e+00 -4.448509496e+00 2.36 -3.456967854e+00 -4.356536308e+00 -4.504338197e+00 2.38 -3.426904008e+00 -4.334050274e+00 -4.549298753e+00 2.40 -3.395310947e+00 -4.306138062e+00 -4.584090952e+00 2.42 -3.362353226e+00 -4.273527278e+00 -4.609360885e+00 2.44 -3.328183368e+00 -4.236841588e+00 -4.625707332e+00 2.46 -3.292942652e+00 -4.196619251e+00 -4.633687118e+00 2.48 -3.256761856e+00 -4.153328005e+00 -4.633819655e+00 2.50 -3.219761962e+00 -4.107376971e+00 -4.626590910e+00 2.52 -3.182054818e+00 -4.059126184e+00 -4.612457099e+00 2.54 -3.143743764e+00 -4.008894246e+00 -4.591848356e+00 2.56 -3.104924213e+00 -3.956964508e+00 -4.565172553e+00 2.58 -3.065684206e+00 -3.903590101e+00 -4.532819332e+00 2.60 -3.026104920e+00 -3.848998046e+00 -4.495164263e+00 2.62 -2.986261153e+00 -3.793392646e+00 -4.452572947e+00 2.64 -2.946221772e+00 -3.736958297e+00 -4.405404770e+00 2.66 -2.906050129e+00 -3.679861832e+00 -4.354016018e+00 2.68 -2.865804451e+00 -3.622254496e+00 -4.298762084e+00 2.70 -2.825538205e+00 -3.564273606e+00 -4.239998590e+00 2.72 -2.785300432e+00 -3.506043967e+00 -4.178081361e+00 2.74 -2.745136062e+00 -3.447679078e+00 -4.113365306e+00 2.76 -2.705086204e+00 -3.389282176e+00 -4.046202383e+00 2.78 -2.665188419e+00 -3.330947132e+00 -3.976938881e+00 2.80 -2.625476966e+00 -3.272759236e+00 -3.905912321e+00 2.82 -2.585983041e+00 -3.214795893e+00 -3.833448244e+00 2.84 -2.546734992e+00 -3.157127233e+00 -3.759857163e+00 2.86 -2.507758518e+00 -3.099816662e+00 -3.685431881e+00 2.88 -2.469076863e+00 -3.042921359e+00 -3.610445316e+00 2.90 -2.430710985e+00 -2.986492730e+00 -3.535148934e+00 2.92 -2.392679721e+00 -2.930576829e+00 -3.459771799e+00 2.94 -2.354999939e+00 -2.875214743e+00 -3.384520240e+00 2.96 -2.317686679e+00 -2.820442955e+00 -3.309578060e+00 2.98 -2.280753286e+00 -2.766293689e+00 -3.235107218e+00 3.00 -2.244211531e+00 -2.712795223e+00 -3.161248890e+00 3.02 -2.208071728e+00 -2.659972198e+00 -3.088124815e+00 3.04 -2.172342842e+00 -2.607845895e+00 -3.015838823e+00 3.06 -2.137032585e+00 -2.556434512e+00 -2.944478478e+00 3.08 -2.102147515e+00 -2.505753407e+00 -2.874116747e+00 3.10 -2.067693122e+00 -2.455815341e+00 -2.804813645e+00 3.12 -2.033673909e+00 -2.406630695e+00 -2.736617814e+00 3.14 -2.000093469e+00 -2.358207677e+00 -2.669567985e+00 3.16 -1.966954556e+00 -2.310552513e+00 -2.603694327e+00 3.18 -1.934259153e+00 -2.263669623e+00 -2.539019643e+00 3.20 -1.902008537e+00 -2.217561783e+00 -2.475560444e+00 3.22 -1.870203329e+00 -2.172230280e+00 -2.413327864e+00 3.24 -1.838843557e+00 -2.127675046e+00 -2.352328466e+00 3.26 -1.807928704e+00 -2.083894784e+00 -2.292564916e+00 3.28 -1.777457753e+00 -2.040887091e+00 -2.234036558e+00 3.30 -1.747429233e+00 -1.998648559e+00 -2.176739902e+00 3.32 -1.717841261e+00 -1.957174875e+00 -2.120669025e+00 3.34 -1.688691578e+00 -1.916460915e+00 -2.065815917e+00 3.36 -1.659977584e+00 -1.876500820e+00 -2.012170767e+00 3.38 -1.631696375e+00 -1.837288080e+00 -1.959722212e+00 3.40 -1.603844769e+00 -1.798815599e+00 -1.908457543e+00 3.42 -1.576419336e+00 -1.761075763e+00 -1.858362890e+00 3.44 -1.549416425e+00 -1.724060496e+00 -1.809423376e+00 3.46 -1.522832187e+00 -1.687761319e+00 -1.761623265e+00 3.48 -1.496662598e+00 -1.652169398e+00 -1.714946076e+00 3.50 -1.470903480e+00 -1.617275591e+00 -1.669374700e+00 3.52 -1.445550520e+00 -1.583070490e+00 -1.624891501e+00 3.54 -1.420599285e+00 -1.549544462e+00 -1.581478400e+00 3.56 -1.396045244e+00 -1.516687684e+00 -1.539116963e+00 3.58 -1.371883778e+00 -1.484490177e+00 -1.497788470e+00 3.60 -1.348110194e+00 -1.452941834e+00 -1.457473984e+00 3.62 -1.324719740e+00 -1.422032451e+00 -1.418154413e+00 3.64 -1.301707615e+00 -1.391751750e+00 -1.379810561e+00 3.66 -1.279068981e+00 -1.362089405e+00 -1.342423179e+00 3.68 -1.256798969e+00 -1.333035058e+00 -1.305973012e+00 3.70 -1.234892693e+00 -1.304578345e+00 -1.270440837e+00 3.72 -1.213345253e+00 -1.276708909e+00 -1.235807498e+00 3.74 -1.192151746e+00 -1.249416417e+00 -1.202053940e+00 3.76 -1.171307270e+00 -1.222690575e+00 -1.169161238e+00 3.78 -1.150806934e+00 -1.196521139e+00 -1.137110621e+00 3.80 -1.130645857e+00 -1.170897932e+00 -1.105883496e+00 3.82 -1.110819181e+00 -1.145810847e+00 -1.075461469e+00 3.84 -1.091322067e+00 -1.121249864e+00 -1.045826359e+00 3.86 -1.072149707e+00 -1.097205051e+00 -1.016960219e+00 3.88 -1.053297320e+00 -1.073666579e+00 -9.888453438e-01 3.90 -1.034760163e+00 -1.050624722e+00 -9.614642839e-01 3.92 -1.016533527e+00 -1.028069869e+00 -9.347998558e-01 3.94 -9.986127428e-01 -1.005992524e+00 -9.088351497e-01 3.96 -9.809931848e-01 -9.843833127e-01 -8.835535359e-01 3.98 -9.636702695e-01 -9.632329864e-01 -8.589386708e-01 4.00 -9.466394594e-01 -9.425324252e-01 -8.349745010e-01 4.02 -9.298962638e-01 -9.222726405e-01 -8.116452667e-01 4.04 -9.134362406e-01 -9.024447776e-01 -7.889355043e-01 4.06 -8.972549970e-01 -8.830401169e-01 -7.668300474e-01 4.08 -8.813481906e-01 -8.640500761e-01 -7.453140279e-01 4.10 -8.657115300e-01 -8.454662110e-01 -7.243728760e-01 4.12 -8.503407761e-01 -8.272802161e-01 -7.039923193e-01 4.14 -8.352317416e-01 -8.094839253e-01 -6.841583821e-01 4.16 -8.203802923e-01 -7.920693119e-01 -6.648573830e-01 4.18 -8.057823468e-01 -7.750284887e-01 -6.460759339e-01 4.20 -7.914338771e-01 -7.583537075e-01 -6.278009362e-01 4.22 -7.773309084e-01 -7.420373588e-01 -6.100195790e-01 4.24 -7.634695191e-01 -7.260719709e-01 -5.927193354e-01 4.26 -7.498458409e-01 -7.104502094e-01 -5.758879591e-01 4.28 -7.364560589e-01 -6.951648757e-01 -5.595134809e-01 4.30 -7.232964107e-01 -6.802089064e-01 -5.435842049e-01 4.32 -7.103631868e-01 -6.655753717e-01 -5.280887040e-01 4.34 -6.976527303e-01 -6.512574740e-01 -5.130158164e-01 4.36 -6.851614361e-01 -6.372485469e-01 -4.983546408e-01 4.38 -6.728857509e-01 -6.235420532e-01 -4.840945322e-01 4.40 -6.608221728e-01 -6.101315834e-01 -4.702250972e-01 4.42 -6.475041596e-01 -5.956005616e-01 -4.555706684e-01 4.44 -6.143523791e-01 -5.621553412e-01 -4.255852775e-01 4.46 -5.128474531e-01 -4.643568065e-01 -3.445119579e-01 4.48 -2.804475825e-01 -2.483480949e-01 -1.763637821e-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 0.000000000e+00 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