# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse # implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--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 Ag Ag Ag H Ag Pd H H H Pd Pd Pd 0.02 1.576831386e+02 1.213337973e+02 7.775542423e+02 9.387591650e+02 6.731686536e+02 2.388115820e+01 0.04 1.526588782e+02 1.148569125e+02 7.357343940e+02 8.717978960e+02 6.095389006e+02 2.344172247e+01 0.06 1.478284571e+02 1.087110002e+02 6.961514321e+02 8.095920154e+02 5.518282167e+02 2.292850427e+01 0.08 1.431826045e+02 1.028794975e+02 6.586848125e+02 7.518044305e+02 4.994897418e+02 2.235640544e+01 0.10 1.387123594e+02 9.734668340e+01 6.232210522e+02 6.981218916e+02 4.520269871e+02 2.173820433e+01 0.12 1.344090725e+02 9.209762219e+01 5.896531521e+02 6.482533611e+02 4.089892859e+02 2.108491140e+01 0.14 1.302644058e+02 8.711811962e+01 5.578800573e+02 6.019284257e+02 3.699675458e+02 2.040607515e+01 0.16 1.262703317e+02 8.239468172e+01 5.278062055e+02 5.588958143e+02 3.345903792e+02 1.971001447e+01 0.18 1.224191341e+02 7.791447967e+01 4.993411529e+02 5.189220637e+02 3.025206510e+02 1.900400035e+01 0.20 1.187034080e+02 7.366531595e+01 4.723992320e+02 4.817902555e+02 2.734523108e+02 1.829440885e+01 0.22 1.151160590e+02 6.963559228e+01 4.468992514e+02 4.472988320e+02 2.471075084e+02 1.758683819e+01 0.24 1.116503041e+02 6.581428081e+01 4.227642289e+02 4.152605192e+02 2.232340074e+02 1.688621095e+01 0.26 1.082996713e+02 6.219089652e+01 3.999211466e+02 3.855013148e+02 2.016028245e+02 1.619685843e+01 0.28 1.050579995e+02 5.875547065e+01 3.783007431e+02 3.578595414e+02 1.820060815e+02 1.552257400e+01 0.30 1.019194388e+02 5.549852628e+01 3.578372977e+02 3.321849789e+02 1.642550692e+02 1.486668621e+01 0.32 9.887845016e+01 5.241105485e+01 3.384684677e+02 3.083380538e+02 1.481784853e+02 1.423208469e+01 0.34 9.588950121e+01 4.948387120e+01 3.201386221e+02 2.861890806e+02 1.336208257e+02 1.362125946e+01 0.36 9.279423828e+01 4.670411698e+01 3.028039180e+02 2.656175649e+02 1.204409225e+02 1.303630941e+01 0.38 8.981019714e+01 4.406779628e+01 2.863907076e+02 2.465115525e+02 1.085105915e+02 1.247891493e+01 0.40 8.692571000e+01 4.156870452e+01 2.708494909e+02 2.287670222e+02 9.771335970e+01 1.195026529e+01 0.42 8.413431978e+01 3.920021364e+01 2.561331661e+02 2.122873253e+02 8.794343642e+01 1.145119223e+01 0.44 8.143020909e+01 3.695586873e+01 2.421971571e+02 1.969826645e+02 7.910498363e+01 1.098226841e+01 0.46 7.880815307e+01 3.482947029e+01 2.289994845e+02 1.827696062e+02 7.111102497e+01 1.054361935e+01 0.48 7.626347940e+01 3.281509350e+01 2.165005825e+02 1.695706311e+02 6.388251642e+01 1.013498207e+01 0.50 7.379203431e+01 3.090708915e+01 2.046631693e+02 1.573137157e+02 5.734774988e+01 9.755697813e+00 0.52 7.139015356e+01 2.910007750e+01 1.934521247e+02 1.459319419e+02 5.144164819e+01 9.404715927e+00 0.54 6.905463776e+01 2.738893939e+01 1.828343721e+02 1.353631356e+02 4.610516115e+01 9.080603061e+00 0.56 6.678273076e+01 2.576880613e+01 1.727787504e+02 1.255495314e+02 4.128471403e+01 8.781571040e+00 0.58 6.457206371e+01 2.423504877e+01 1.632558938e+02 1.164374595e+02 3.693170613e+01 8.505512346e+00 0.60 6.242052459e+01 2.278326741e+01 1.542381112e+02 1.079770554e+02 3.300205593e+01 8.250053538e+00 0.62 6.032620702e+01 2.140928068e+01 1.456992626e+02 1.001219914e+02 2.945578638e+01 8.012630205e+00 0.64 5.828739850e+01 2.010911538e+01 1.376146445e+02 9.282922463e+01 2.625664810e+01 7.790570776e+00 0.66 5.630257065e+01 1.887899659e+01 1.299608822e+02 8.605876539e+01 2.337177663e+01 7.581191813e+00 0.68 5.437036620e+01 1.771533804e+01 1.227158271e+02 7.977346039e+01 2.077138041e+01 7.381897870e+00 0.70 5.248954081e+01 1.661473293e+01 1.158584663e+02 7.393879177e+01 1.842845674e+01 7.190276445e+00 0.72 5.065890574e+01 1.557394511e+01 1.093688415e+02 6.852269038e+01 1.631853355e+01 7.004182278e+00 0.74 4.887731792e+01 1.458990069e+01 1.032279770e+02 6.349536245e+01 1.441943410e+01 6.821804207e+00 0.76 4.714367528e+01 1.365967999e+01 9.741782040e+01 5.882912812e+01 1.271106352e+01 6.641708349e+00 0.78 4.545691270e+01 1.278050989e+01 9.192118919e+01 5.449827173e+01 1.117521416e+01 6.462857391e+00 0.80 4.381599856e+01 1.194975654e+01 8.672172630e+01 5.047890271e+01 9.795389032e+00 6.284603937e+00 0.82 4.221993166e+01 1.116491845e+01 8.180386226e+01 4.674882611e+01 8.556641524e+00 6.106661858e+00 0.84 4.066773864e+01 1.042361981e+01 7.715278096e+01 4.328742245e+01 7.445429779e+00 5.929059283e+00 0.86 3.915847160e+01 9.723604321e+00 7.275438885e+01 4.007553616e+01 6.449484509e+00 5.752078381e+00 0.88 3.769120615e+01 9.062729134e+00 6.859528728e+01 3.709537169e+01 5.557689501e+00 5.576189481e+00 0.90 3.626503959e+01 8.438959233e+00 6.466274528e+01 3.433039719e+01 4.759973104e+00 5.401983638e+00 0.92 3.487908943e+01 7.850362027e+00 6.094467346e+01 3.176525490e+01 4.047210058e+00 5.230109425e+00 0.94 3.353249198e+01 7.295102239e+00 5.742959812e+01 2.938567793e+01 3.411132654e+00 5.061217669e+00 0.96 3.222440122e+01 6.771437034e+00 5.410663577e+01 2.717841292e+01 2.844250400e+00 4.895916743e+00 0.98 3.095398769e+01 6.277711417e+00 5.096546771e+01 2.513114818e+01 2.339777342e+00 4.734739503e+00 1.00 2.972043764e+01 5.812353837e+00 4.799631462e+01 2.323244695e+01 1.891566280e+00 4.578121182e+00 1.02 2.852295218e+01 5.373872024e+00 4.518991194e+01 2.147168530e+01 1.494049407e+00 4.426389046e+00 1.04 2.736074657e+01 4.960849042e+00 4.253748529e+01 1.983899457e+01 1.142184439e+00 4.279760078e+00 1.06 2.623304962e+01 4.571939530e+00 4.003072685e+01 1.832520774e+01 8.314060272e-01 4.138347063e+00 1.08 2.513910312e+01 4.205866134e+00 3.766177227e+01 1.692180973e+01 5.575816414e-01 4.002169161e+00 1.10 2.407816134e+01 3.861416129e+00 3.542317862e+01 1.562089110e+01 3.169717189e-01 3.871166977e+00 1.12 2.304949066e+01 3.537438197e+00 3.330790290e+01 1.441510513e+01 1.061933932e-01 3.745218077e+00 1.14 2.205236913e+01 3.232839378e+00 3.130928174e+01 1.329762789e+01 -7.781227037e-02 3.624154170e+00 1.16 2.108608615e+01 2.946582169e+00 2.942101185e+01 1.226212115e+01 -2.378101229e-01 3.507776814e+00 1.18 2.014994225e+01 2.677681771e+00 2.763713138e+01 1.130269792e+01 -3.762980353e-01 3.395871597e+00 1.20 1.924324872e+01 2.425203473e+00 2.595200207e+01 1.041389043e+01 -4.955315374e-01 3.288220409e+00 1.22 1.836532752e+01 2.188260168e+00 2.436029229e+01 9.590620372e+00 -5.975462874e-01 3.184611037e+00 1.24 1.751551100e+01 1.966009994e+00 2.285696088e+01 8.828171281e+00 -6.841784754e-01 3.084844716e+00 1.26 1.669314175e+01 1.757654087e+00 2.143724170e+01 8.122162825e+00 -7.570834533e-01 2.988740964e+00 1.28 1.589757250e+01 1.562434459e+00 2.009662886e+01 7.468526957e+00 -8.177527352e-01 2.896140117e+00 1.30 1.512816596e+01 1.379631970e+00 1.883086267e+01 6.863485738e+00 -8.675294836e-01 2.806903884e+00 1.32 1.438429474e+01 1.208564403e+00 1.763591636e+01 6.303530745e+00 -9.076225793e-01 2.720914709e+00 1.34 1.366534127e+01 1.048584642e+00 1.650798329e+01 5.785403921e+00 -9.391195388e-01 2.638073009e+00 1.36 1.297069771e+01 8.990789328e-01 1.544346485e+01 5.306079798e+00 -9.629982021e-01 2.558294054e+00 1.38 1.229976592e+01 7.594652335e-01 1.443895891e+01 4.862748976e+00 -9.801374214e-01 2.481503761e+00 1.40 1.165195742e+01 6.291916498e-01 1.349124901e+01 4.452802765e+00 -9.913267449e-01 2.407634476e+00 1.42 1.102669336e+01 5.077349420e-01 1.259729390e+01 4.073818927e+00 -9.972752544e-01 2.336620375e+00 1.44 1.042340448e+01 3.945991064e-01 1.175421775e+01 3.723548430e+00 -9.986195701e-01 2.268393158e+00 1.46 9.841531133e+00 2.893140334e-01 1.095930089e+01 3.399903127e+00 -9.959310840e-01 2.202878367e+00 1.48 9.280523280e+00 1.914342313e-01 1.020997095e+01 3.100944317e+00 -9.897225410e-01 2.139991850e+00 1.50 8.739840489e+00 1.005376027e-01 9.503794645e+00 2.824872129e+00 -9.804539487e-01 2.079637447e+00 1.52 8.218951971e+00 1.622429026e-02 8.838469853e+00 2.570015639e+00 -9.685379528e-01 2.021705053e+00 1.54 7.717336593e+00 -6.188441123e-02 8.211818245e+00 2.334823693e+00 -9.543446104e-01 1.966069908e+00 1.56 7.234482922e+00 -1.341471132e-01 7.621778272e+00 2.117856398e+00 -9.382057500e-01 1.912592510e+00 1.58 6.769889265e+00 -2.009033177e-01 7.066398580e+00 1.917777191e+00 -9.204188395e-01 1.861119546e+00 1.60 6.323063724e+00 -2.624743546e-01 6.543831776e+00 1.733345487e+00 -9.012504514e-01 1.811485503e+00 1.62 5.893524245e+00 -3.191642940e-01 6.052328564e+00 1.563409853e+00 -8.809394033e-01 1.763515026e+00 1.64 5.480798697e+00 -3.712607747e-01 5.590232179e+00 1.406901640e+00 -8.596995080e-01 1.717025686e+00 1.66 5.084424943e+00 -4.190358351e-01 5.155973191e+00 1.262829103e+00 -8.377220851e-01 1.671831380e+00 1.68 4.703950924e+00 -4.627466625e-01 4.748064578e+00 1.130271912e+00 -8.151781499e-01 1.627745788e+00 1.70 4.338934763e+00 -5.026363362e-01 4.365097077e+00 1.008376062e+00 -7.922204149e-01 1.584586004e+00 1.72 3.988944867e+00 -5.389345107e-01 4.005734855e+00 8.963491434e-01 -7.689850345e-01 1.542176160e+00 1.74 3.653560048e+00 -5.718580793e-01 3.668711387e+00 7.934559489e-01 -7.455931965e-01 1.500350710e+00 1.76 3.332369659e+00 -6.016117934e-01 3.352825632e+00 6.990143926e-01 -7.221525187e-01 1.458957558e+00 1.78 3.024973747e+00 -6.283888610e-01 3.056938461e+00 6.123917152e-01 -6.987583161e-01 1.417860676e+00 1.80 2.730983213e+00 -6.523714989e-01 2.779969246e+00 5.330009640e-01 -6.754947238e-01 1.376942186e+00 1.82 2.450020005e+00 -6.737314811e-01 2.520892765e+00 4.602977241e-01 -6.524357393e-01 1.336103961e+00 1.84 2.181717322e+00 -6.926306244e-01 2.278736250e+00 3.937770633e-01 -6.296460924e-01 1.295268626e+00 1.86 1.925719839e+00 -7.092212933e-01 2.052576665e+00 3.329707379e-01 -6.071821393e-01 1.254379957e+00 1.88 1.681683955e+00 -7.236468297e-01 1.841538159e+00 2.774445302e-01 -5.850925433e-01 1.213402755e+00 1.90 1.449278065e+00 -7.360420075e-01 1.644789660e+00 2.267958513e-01 -5.634190273e-01 1.172322169e+00 1.92 1.228182854e+00 -7.465334341e-01 1.461542664e+00 1.806514504e-01 -5.421969595e-01 1.131142615e+00 1.94 1.018091616e+00 -7.552399395e-01 1.291049120e+00 1.386653186e-01 -5.214559259e-01 1.089886267e+00 1.96 8.187105815e-01 -7.622729679e-01 1.132599411e+00 1.005167560e-01 -5.012203030e-01 1.048591250e+00 1.98 6.297592511e-01 -7.677369178e-01 9.855204533e-01 6.590851804e-02 -4.815096777e-01 1.007309617e+00 2.00 4.509707339e-01 -7.717295038e-01 8.491738157e-01 3.456516861e-02 -4.623393446e-01 9.661051516e-01 2.02 2.820919975e-01 -7.743421104e-01 7.229538608e-01 6.231506848e-03 -4.437207254e-01 9.250511159e-01 2.04 1.228832434e-01 -7.756602098e-01 6.062855002e-01 -1.932891614e-02 -4.256617050e-01 8.842279748e-01 2.06 -2.688284593e-02 -7.757638134e-01 4.986219532e-01 -4.233510406e-02 -4.081670369e-01 8.437211811e-01 2.08 -1.674212110e-01 -7.747278281e-01 3.994428784e-01 -6.298988332e-02 -3.912386718e-01 8.036190646e-01 2.10 -2.989346882e-01 -7.726224023e-01 3.082524665e-01 -8.148109941e-02 -3.748760217e-01 7.640108663e-01 2.12 -4.216145955e-01 -7.695133192e-01 2.245774491e-01 -9.798265376e-02 -3.590762821e-01 7.249849503e-01 2.14 -5.356417008e-01 -7.654624185e-01 1.479650222e-01 -1.126555123e-01 -3.438347034e-01 6.866272164e-01 2.16 -6.411878315e-01 -7.605280421e-01 7.798065232e-02 -1.256486804e-01 -3.291447965e-01 6.490197234e-01 2.18 -7.384181444e-01 -7.547655530e-01 1.420583205e-02 -1.371000346e-01 -3.149985694e-01 6.122395313e-01 2.20 -8.274943935e-01 -7.482279159e-01 -4.376424468e-02 -1.471371130e-01 -3.013867544e-01 5.763577583e-01 2.22 -9.085792546e-01 -7.409663424e-01 -9.632292398e-02 -1.558778854e-01 -2.882989860e-01 5.414388552e-01 2.24 -9.818419986e-01 -7.330309924e-01 -1.438542118e-01 -1.634314727e-01 -2.757239467e-01 5.075400718e-01 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