# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--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 1.067486291e+02 4.280508068e+01 9.387591650e+02 6.731686536e+02 2.388115820e+01 0.04 1.526588782e+02 1.013729844e+02 4.173152177e+01 8.717978960e+02 6.095389006e+02 2.344172247e+01 0.06 1.478284571e+02 9.625303141e+01 4.061961497e+01 8.095920154e+02 5.518282167e+02 2.292850427e+01 0.08 1.431826045e+02 9.137700325e+01 3.947996526e+01 7.518044305e+02 4.994897418e+02 2.235640544e+01 0.10 1.387123594e+02 8.673365975e+01 3.832209597e+01 6.981218916e+02 4.520269871e+02 2.173820433e+01 0.12 1.344090725e+02 8.231226668e+01 3.715448467e+01 6.482533611e+02 4.089892859e+02 2.108491140e+01 0.14 1.302644058e+02 7.810257339e+01 3.598460923e+01 6.019284257e+02 3.699675458e+02 2.040607515e+01 0.16 1.262703317e+02 7.409479101e+01 3.481900751e+01 5.588958143e+02 3.345903792e+02 1.971001447e+01 0.18 1.224191341e+02 7.027957321e+01 3.366334142e+01 5.189220637e+02 3.025206510e+02 1.900400035e+01 0.20 1.187034080e+02 6.664799683e+01 3.252246161e+01 4.817902555e+02 2.734523108e+02 1.829440885e+01 0.22 1.151160590e+02 6.319154280e+01 3.140047270e+01 4.472988320e+02 2.471075084e+02 1.758683819e+01 0.24 1.116503041e+02 5.990207885e+01 3.030079444e+01 4.152605192e+02 2.232340074e+02 1.688621095e+01 0.26 1.082996713e+02 5.677184239e+01 2.922622100e+01 3.855013148e+02 2.016028245e+02 1.619685843e+01 0.28 1.050579995e+02 5.379342382e+01 2.817898135e+01 3.578595414e+02 1.820060815e+02 1.552257400e+01 0.30 1.019194388e+02 5.095975110e+01 2.716079014e+01 3.321849789e+02 1.642550692e+02 1.486668621e+01 0.32 9.887845016e+01 4.826407470e+01 2.617290469e+01 3.083380538e+02 1.481784853e+02 1.423208469e+01 0.34 9.588938113e+01 4.569911843e+01 2.522089843e+01 2.861890806e+02 1.336208257e+02 1.362125946e+01 0.36 9.279423828e+01 4.325152830e+01 2.432048669e+01 2.656175649e+02 1.204409225e+02 1.303630941e+01 0.38 8.981019714e+01 4.092141929e+01 2.344357219e+01 2.465115525e+02 1.085105915e+02 1.247891493e+01 0.40 8.692571000e+01 3.870471195e+01 2.259104481e+01 2.287670222e+02 9.771335970e+01 1.195026529e+01 0.42 8.413431978e+01 3.659656007e+01 2.176335274e+01 2.122873253e+02 8.794343642e+01 1.145119223e+01 0.44 8.143020910e+01 3.459211209e+01 2.096087248e+01 1.969826645e+02 7.910498363e+01 1.098226841e+01 0.46 7.880815307e+01 3.268664111e+01 2.018397591e+01 1.827696062e+02 7.111102497e+01 1.054361935e+01 0.48 7.626347940e+01 3.087558541e+01 1.943297127e+01 1.695706311e+02 6.388251642e+01 1.013498207e+01 0.50 7.379203431e+01 2.915456179e+01 1.870809060e+01 1.573137157e+02 5.734774988e+01 9.755697813e+00 0.52 7.139015356e+01 2.751936849e+01 1.800948860e+01 1.459319419e+02 5.144164819e+01 9.404715927e+00 0.54 6.905463776e+01 2.596598338e+01 1.733724574e+01 1.353631356e+02 4.610516115e+01 9.080603061e+00 0.56 6.678273077e+01 2.449055981e+01 1.669137107e+01 1.255495314e+02 4.128471403e+01 8.781571040e+00 0.58 6.457206372e+01 2.308942118e+01 1.607180060e+01 1.164374595e+02 3.693170613e+01 8.505512346e+00 0.60 6.242052459e+01 2.175905505e+01 1.547838324e+01 1.079770554e+02 3.300205593e+01 8.250053538e+00 0.62 6.032620702e+01 2.049610691e+01 1.491087521e+01 1.001219914e+02 2.945578638e+01 8.012630205e+00 0.64 5.828739850e+01 1.929737391e+01 1.436893925e+01 9.282922463e+01 2.625664810e+01 7.790570776e+00 0.66 5.630257065e+01 1.815979859e+01 1.385214349e+01 8.605876539e+01 2.337177663e+01 7.581191813e+00 0.68 5.437036620e+01 1.708046283e+01 1.335996027e+01 7.977346039e+01 2.077138041e+01 7.381897870e+00 0.70 5.248954081e+01 1.605658180e+01 1.289176009e+01 7.393879177e+01 1.842845674e+01 7.190276445e+00 0.72 5.065890574e+01 1.508549826e+01 1.244680761e+01 6.852269038e+01 1.631853355e+01 7.004182278e+00 0.74 4.887731793e+01 1.416467697e+01 1.202426670e+01 6.349536245e+01 1.441943410e+01 6.821804207e+00 0.76 4.714367528e+01 1.329169926e+01 1.162320813e+01 5.882912812e+01 1.271106352e+01 6.641708349e+00 0.78 4.545691270e+01 1.246425791e+01 1.124262035e+01 5.449827173e+01 1.117521416e+01 6.462857391e+00 0.80 4.381599856e+01 1.168015218e+01 1.088142203e+01 5.047890271e+01 9.795389032e+00 6.284603937e+00 0.82 4.221993166e+01 1.093728304e+01 1.053847597e+01 4.674882611e+01 8.556641524e+00 6.106661858e+00 0.84 4.066773864e+01 1.023364862e+01 1.021260430e+01 4.328742245e+01 7.445429779e+00 5.929059283e+00 0.86 3.915847160e+01 9.567339835e+00 9.902604350e+00 4.007553616e+01 6.449484509e+00 5.752078381e+00 0.88 3.769120615e+01 8.936536214e+00 9.607263596e+00 3.709537169e+01 5.557689501e+00 5.576189481e+00 0.90 3.626503959e+01 8.339501897e+00 9.325374566e+00 3.433039719e+01 4.759973104e+00 5.401983638e+00 0.92 3.487908943e+01 7.774581820e+00 9.055748513e+00 3.176525490e+01 4.047210058e+00 5.230109425e+00 0.94 3.353249198e+01 7.240198059e+00 8.797227721e+00 2.938567793e+01 3.411132654e+00 5.061217669e+00 0.96 3.222440122e+01 6.734846328e+00 8.548696170e+00 2.717841292e+01 2.844250400e+00 4.895916743e+00 0.98 3.095398769e+01 6.257092659e+00 8.309088537e+00 2.513114818e+01 2.339777342e+00 4.734739503e+00 1.00 2.972043765e+01 5.805570200e+00 8.077397868e+00 2.323244695e+01 1.891566280e+00 4.578121182e+00 1.02 2.852295218e+01 5.378976172e+00 7.852681062e+00 2.147168530e+01 1.494049407e+00 4.426389046e+00 1.04 2.736074657e+01 4.976068963e+00 7.634063515e+00 1.983899457e+01 1.142184439e+00 4.279760078e+00 1.06 2.623304962e+01 4.595665347e+00 7.420741770e+00 1.832520774e+01 8.314060272e-01 4.138347063e+00 1.08 2.513910312e+01 4.236637827e+00 7.211985453e+00 1.692180973e+01 5.575816414e-01 4.002169161e+00 1.10 2.407816135e+01 3.897912105e+00 7.007137478e+00 1.562089110e+01 3.169717189e-01 3.871166977e+00 1.12 2.304949067e+01 3.578464656e+00 6.805614153e+00 1.441510513e+01 1.061933932e-01 3.745218077e+00 1.14 2.205236913e+01 3.277320418e+00 6.606903621e+00 1.329762789e+01 -7.781227037e-02 3.624154170e+00 1.16 2.108608616e+01 2.993550587e+00 6.410564056e+00 1.226212115e+01 -2.378101229e-01 3.507776814e+00 1.18 2.014994225e+01 2.726270507e+00 6.216221275e+00 1.130269792e+01 -3.762980353e-01 3.395871597e+00 1.20 1.924324872e+01 2.474637656e+00 6.023565724e+00 1.041389043e+01 -4.955315374e-01 3.288220409e+00 1.22 1.836532752e+01 2.237849727e+00 5.832349273e+00 9.590620372e+00 -5.975462874e-01 3.184611037e+00 1.24 1.751551100e+01 2.015142790e+00 5.642381405e+00 8.828171281e+00 -6.841784754e-01 3.084844716e+00 1.26 1.669314175e+01 1.805789541e+00 5.453525389e+00 8.122162825e+00 -7.570834533e-01 2.988740964e+00 1.28 1.589757250e+01 1.609097633e+00 5.265694309e+00 7.468526957e+00 -8.177527352e-01 2.896140117e+00 1.30 1.512816596e+01 1.424408071e+00 5.078847002e+00 6.863485738e+00 -8.675294836e-01 2.806903884e+00 1.32 1.438429474e+01 1.251093694e+00 4.892983581e+00 6.303530745e+00 -9.076225793e-01 2.720914709e+00 1.34 1.366534127e+01 1.088557717e+00 4.708141517e+00 5.785403921e+00 -9.391195388e-01 2.638073009e+00 1.36 1.297069771e+01 9.362323416e-01 4.524391268e+00 5.306079798e+00 -9.629982021e-01 2.558294054e+00 1.38 1.229976592e+01 7.935774265e-01 4.341832312e+00 4.862748976e+00 -9.801374214e-01 2.481503761e+00 1.40 1.165195742e+01 6.600792263e-01 4.160588975e+00 4.452802765e+00 -9.913267449e-01 2.407634476e+00 1.42 1.102669336e+01 5.352491788e-01 3.980806667e+00 4.073818927e+00 -9.972752544e-01 2.336620375e+00 1.44 1.042340448e+01 4.186227511e-01 3.802648157e+00 3.723548430e+00 -9.986195701e-01 2.268393158e+00 1.46 9.841531134e+00 3.097583394e-01 3.626289882e+00 3.399903127e+00 -9.959310840e-01 2.202878367e+00 1.48 9.280523281e+00 2.082362190e-01 3.451918759e+00 3.100944317e+00 -9.897225410e-01 2.139991850e+00 1.50 8.739840491e+00 1.136575384e-01 3.279728855e+00 2.824872129e+00 -9.804539487e-01 2.079637447e+00 1.52 8.218951972e+00 2.564336243e-02 3.109918570e+00 2.570015639e+00 -9.685379528e-01 2.021705053e+00 1.54 7.717336594e+00 -5.616623720e-02 2.942687813e+00 2.334823693e+00 -9.543446104e-01 1.966069908e+00 1.56 7.234482923e+00 -1.321130586e-01 2.778235566e+00 2.117856398e+00 -9.382057500e-01 1.912592510e+00 1.58 6.769889267e+00 -2.025215980e-01 2.616757582e+00 1.917777191e+00 -9.204188395e-01 1.861119546e+00 1.60 6.323063725e+00 -2.676998406e-01 2.458444373e+00 1.733345487e+00 -9.012504514e-01 1.811485503e+00 1.62 5.893524245e+00 -3.279400221e-01 2.303479396e+00 1.563409853e+00 -8.809394033e-01 1.763515026e+00 1.64 5.480798697e+00 -3.835193418e-01 2.152037551e+00 1.406901640e+00 -8.596995080e-01 1.717025686e+00 1.66 5.084424942e+00 -4.347006567e-01 2.004283789e+00 1.262829103e+00 -8.377220851e-01 1.671831380e+00 1.68 4.703950925e+00 -4.817331297e-01 1.860372052e+00 1.130271912e+00 -8.151781499e-01 1.627745788e+00 1.70 4.338934765e+00 -5.248528573e-01 1.720444393e+00 1.008376062e+00 -7.922204149e-01 1.584586004e+00 1.72 3.988944869e+00 -5.642834603e-01 1.584630289e+00 8.963491434e-01 -7.689850345e-01 1.542176160e+00 1.74 3.653560050e+00 -6.002366506e-01 1.453046219e+00 7.934559489e-01 -7.455931965e-01 1.500350710e+00 1.76 3.332369660e+00 -6.329127669e-01 1.325795361e+00 6.990143926e-01 -7.221525187e-01 1.458957558e+00 1.78 3.024973746e+00 -6.625012885e-01 1.202967498e+00 6.123917152e-01 -6.987583161e-01 1.417860676e+00 1.80 2.730983212e+00 -6.891813173e-01 1.084639123e+00 5.330009640e-01 -6.754947238e-01 1.376942186e+00 1.82 2.450020006e+00 -7.131220451e-01 9.708736338e-01 4.602977241e-01 -6.524357393e-01 1.336103961e+00 1.84 2.181717324e+00 -7.344831854e-01 8.617216855e-01 3.937770633e-01 -6.296460924e-01 1.295268626e+00 1.86 1.925719841e+00 -7.534153986e-01 7.572216471e-01 3.329707379e-01 -6.071821393e-01 1.254379957e+00 1.88 1.681683955e+00 -7.700606794e-01 6.574001422e-01 2.774445302e-01 -5.850925433e-01 1.213402755e+00 1.90 1.449278065e+00 -7.845527407e-01 5.622726639e-01 2.267958513e-01 -5.634190273e-01 1.172322169e+00 1.92 1.228182855e+00 -7.970173682e-01 4.718442094e-01 1.806514504e-01 -5.421969595e-01 1.131142615e+00 1.94 1.018091618e+00 -8.075727622e-01 3.861099429e-01 1.386653186e-01 -5.214559259e-01 1.089886267e+00 1.96 8.187105830e-01 -8.163298708e-01 3.050558366e-01 1.005167560e-01 -5.012203030e-01 1.048591250e+00 1.98 6.297592508e-01 -8.233926990e-01 2.286592540e-01 6.590851804e-02 -4.815096777e-01 1.007309617e+00 2.00 4.509707348e-01 -8.288586212e-01 1.568894715e-01 3.456516861e-02 -4.623393446e-01 9.661051516e-01 2.02 2.820920001e-01 -8.328186965e-01 8.970799347e-02 6.231506848e-03 -4.437207254e-01 9.250511159e-01 2.04 1.228832430e-01 -8.353580900e-01 2.706804142e-02 -1.932891614e-02 -4.256617050e-01 8.842279748e-01 2.06 -2.688284460e-02 -8.365565155e-01 -3.108612713e-02 -4.233510406e-02 -4.081670369e-01 8.437211811e-01 2.08 -1.674212092e-01 -8.364885740e-01 -8.481942849e-02 -6.298988332e-02 -3.912386718e-01 8.036190646e-01 2.10 -2.989346883e-01 -8.352241048e-01 -1.342063725e-01 -8.148109941e-02 -3.748760217e-01 7.640108663e-01 2.12 -4.216145936e-01 -8.328285762e-01 -1.793317964e-01 -9.798265376e-02 -3.590762821e-01 7.249849503e-01 2.14 -5.356417004e-01 -8.293635271e-01 -2.202919471e-01 -1.126555123e-01 -3.438347034e-01 6.866272164e-01 2.16 -6.411878296e-01 -8.248870638e-01 -2.571959438e-01 -1.256486804e-01 -3.291447965e-01 6.490197234e-01 2.18 -7.384181447e-01 -8.194544443e-01 -2.901676020e-01 -1.371000346e-01 -3.149985694e-01 6.122395313e-01 2.20 -8.274943910e-01 -8.131187553e-01 -3.193475762e-01 -1.471371130e-01 -3.013867544e-01 5.763577583e-01 2.22 -9.085792547e-01 -8.059316909e-01 -3.448957222e-01 -1.558778854e-01 -2.882989860e-01 5.414388552e-01 2.24 -9.818419963e-01 -7.979444364e-01 -3.669934748e-01 -1.634314727e-01 -2.757239467e-01 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