# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Pd # implementation = 1989--Adams-J-B--Pd--LAMMPS--ipr1 # composition = Pd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 2.041612197e+03 nan 0.70 nan nan nan nan nan nan nan nan 1.822699955e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.630599742e+03 nan 0.74 nan nan nan nan nan 1.276422795e+03 nan nan 1.461565596e+03 nan 0.76 nan nan nan nan nan 1.147581837e+03 nan nan 1.312439584e+03 nan 0.78 nan nan nan nan nan 1.033487505e+03 nan nan 1.180553172e+03 nan 0.80 nan nan nan nan nan 9.322064028e+02 nan nan 1.063638341e+03 nan 0.82 nan nan nan nan nan 8.420943314e+02 nan nan 9.597659563e+02 nan 0.84 nan nan nan 1.981265019e+03 1.981301554e+03 7.617496675e+02 nan nan 8.672860996e+02 1.271995229e+03 0.86 nan 1.125633323e+03 nan 1.803385315e+03 1.803419090e+03 6.899684551e+02 1.163636068e+03 nan 7.847813616e+02 1.154386346e+03 0.88 nan 1.021499715e+03 nan 1.643618793e+03 1.643649958e+03 6.257179669e+02 1.057011197e+03 nan 7.110336250e+02 1.049032139e+03 0.90 nan 9.281681396e+02 nan 1.499877618e+03 1.499906379e+03 5.681053353e+02 9.613652463e+02 nan 6.449913659e+02 9.544868912e+02 0.92 nan 8.443788691e+02 nan 1.370346257e+03 1.370372999e+03 5.163551947e+02 8.754208324e+02 nan 5.857446861e+02 8.694942669e+02 0.94 nan 7.690336935e+02 nan 1.253438063e+03 1.253463139e+03 4.697985758e+02 7.980675409e+02 nan 5.325035654e+02 7.929625319e+02 0.96 1.147742017e+03 7.011745487e+02 1.018362977e+03 1.147766105e+03 1.147789485e+03 4.278512089e+02 7.283341384e+02 1.056661559e+03 4.845818853e+02 7.239413737e+02 0.98 1.052091299e+03 6.399651334e+02 9.325397716e+02 1.052113402e+03 1.052134716e+03 3.900023169e+02 6.653747471e+02 9.679045054e+02 4.413812592e+02 6.615977748e+02 1.00 9.653920626e+02 5.846700671e+02 8.548178516e+02 9.654114980e+02 9.654311590e+02 3.558043090e+02 6.084469011e+02 8.875021598e+02 4.023782298e+02 6.052007946e+02 1.02 8.867002395e+02 5.346461157e+02 7.843339159e+02 8.867174190e+02 8.867356808e+02 3.248642548e+02 5.568983852e+02 8.145691151e+02 3.671144477e+02 5.541125507e+02 1.04 8.151814825e+02 4.893258100e+02 7.203300144e+02 8.151978820e+02 8.152148993e+02 2.968358920e+02 5.101555269e+02 7.483239699e+02 3.351875411e+02 5.077689972e+02 1.06 7.501020880e+02 4.482105758e+02 6.621357896e+02 7.501172564e+02 7.501333418e+02 2.714147676e+02 4.677136437e+02 6.880765665e+02 3.062433043e+02 4.656723461e+02 1.08 6.908070153e+02 4.108587976e+02 6.091547195e+02 6.908226406e+02 6.908380001e+02 2.483302298e+02 4.291252923e+02 6.332150277e+02 2.799693774e+02 4.273855521e+02 1.10 6.367193264e+02 3.768815543e+02 5.608609602e+02 6.367347363e+02 6.367493751e+02 2.273430543e+02 3.939959074e+02 5.831976150e+02 2.560902463e+02 3.925208330e+02 1.12 5.873224645e+02 3.459342508e+02 5.167866364e+02 5.873371125e+02 5.873510800e+02 2.082421005e+02 3.619759505e+02 5.375413815e+02 2.343618624e+02 3.607348434e+02 1.14 5.421577629e+02 3.177124017e+02 4.765140576e+02 5.421712328e+02 5.421846216e+02 1.908384533e+02 3.327565146e+02 4.958164277e+02 2.145681433e+02 3.317217508e+02 1.16 5.008159209e+02 2.919437532e+02 4.396738730e+02 5.008281802e+02 5.008406931e+02 1.749643977e+02 3.060615475e+02 4.576409659e+02 1.965169999e+02 3.052096254e+02 1.18 4.629307156e+02 2.683878319e+02 4.059352706e+02 4.629420970e+02 4.629538135e+02 1.604702744e+02 2.816457813e+02 4.226734695e+02 1.800375337e+02 2.809558973e+02 1.20 4.281759836e+02 2.468302791e+02 3.750022823e+02 4.281866114e+02 4.281977411e+02 1.472221954e+02 2.592903383e+02 3.906090860e+02 1.649776413e+02 2.587454363e+02 1.22 3.962590079e+02 2.270795115e+02 3.466097017e+02 3.962690624e+02 3.962797583e+02 1.351001432e+02 2.387996605e+02 3.611747256e+02 1.512011734e+02 2.383855904e+02 1.24 3.669164811e+02 2.089656202e+02 3.205219153e+02 3.669267734e+02 3.669371611e+02 1.239971128e+02 2.199996986e+02 3.341262143e+02 1.385871649e+02 2.197035421e+02 1.26 3.399144282e+02 1.923366122e+02 2.965276312e+02 3.399247628e+02 3.399348015e+02 1.138178717e+02 2.027343897e+02 3.092450946e+02 1.270272243e+02 2.025446659e+02 1.28 3.150415942e+02 1.770556838e+02 2.744370391e+02 3.150514365e+02 3.150611425e+02 1.044770005e+02 1.868632496e+02 2.863346895e+02 1.164239376e+02 1.867703412e+02 1.30 2.921073380e+02 1.630000422e+02 2.540782443e+02 2.921170576e+02 2.921265677e+02 9.589685278e+01 1.722607746e+02 2.652186429e+02 1.066897298e+02 1.722554084e+02 1.32 2.709412893e+02 1.500608499e+02 2.352989316e+02 2.709508656e+02 2.709602234e+02 8.800845333e+01 1.588135994e+02 2.457380931e+02 9.774630340e+01 1.588884332e+02 1.34 2.513894195e+02 1.381394577e+02 2.179611256e+02 2.513987624e+02 2.514079436e+02 8.074945722e+01 1.464200917e+02 2.277504007e+02 8.952254141e+01 1.465686609e+02 1.36 2.333128454e+02 1.271466710e+02 2.019403895e+02 2.333215717e+02 2.333302581e+02 7.406382430e+01 1.349886963e+02 2.111266399e+02 8.195477012e+01 1.352050794e+02 1.38 2.165853162e+02 1.170024786e+02 1.871243754e+02 2.165937019e+02 2.166020024e+02 6.790098828e+01 1.244371551e+02 1.957498170e+02 7.498592644e+01 1.247154661e+02 1.40 2.010935752e+02 1.076353219e+02 1.734110183e+02 2.011015752e+02 2.011094379e+02 6.221527522e+01 1.146906958e+02 1.815152405e+02 6.856405838e+01 1.150254499e+02 1.42 1.867354502e+02 9.897992237e+01 1.607082654e+02 1.867428270e+02 1.867502354e+02 5.696513055e+01 1.056816944e+02 1.683278485e+02 6.264217669e+01 1.060674948e+02 1.44 1.734178570e+02 9.097718782e+01 1.489337287e+02 1.734245397e+02 1.734315104e+02 5.211360839e+01 9.734849797e+01 1.561012898e+02 5.717769207e+01 9.777983259e+01 1.46 1.610563675e+02 8.357291518e+01 1.380117162e+02 1.610621853e+02 1.610687352e+02 4.762671656e+01 8.963583109e+01 1.447574224e+02 5.213234340e+01 9.010822357e+01 1.48 1.495734047e+02 7.671864144e+01 1.278736881e+02 1.495789429e+02 1.495851651e+02 4.347384753e+01 8.249310116e+01 1.342251188e+02 4.747126928e+01 8.300211791e+01 1.50 1.388993802e+02 7.037063240e+01 1.184577654e+02 1.389051658e+02 1.389111451e+02 3.962767663e+01 7.587435700e+01 1.244401854e+02 4.316246247e+01 7.641586659e+01 1.52 1.289718155e+02 6.448872864e+01 1.097072995e+02 1.289776648e+02 1.289834072e+02 3.606307628e+01 6.973800825e+01 1.153442593e+02 3.917724157e+01 7.030820510e+01 1.54 1.197326368e+02 5.903615619e+01 1.015703054e+02 1.197385492e+02 1.197441336e+02 3.275722111e+01 6.404578868e+01 1.068837430e+02 3.548947028e+01 6.464115303e+01 1.56 1.111291647e+02 5.397945238e+01 9.399924571e+01 1.111350847e+02 1.111405223e+02 2.967640071e+01 5.876262207e+01 9.901015329e+01 3.207514379e+01 5.938016695e+01 1.58 1.031135653e+02 4.928788942e+01 8.695133890e+01 1.031191927e+02 1.031244012e+02 2.683392421e+01 5.385737681e+01 9.167864729e+01 2.890305084e+01 5.449379914e+01 1.60 9.564177234e+01 4.493327084e+01 8.038794510e+01 9.564703396e+01 9.565202564e+01 2.420686879e+01 4.930106091e+01 8.484868560e+01 2.598804970e+01 4.995315952e+01 1.62 8.867306586e+01 4.089034306e+01 7.427304703e+01 8.867815947e+01 8.868300128e+01 2.178078185e+01 4.506711337e+01 7.848305633e+01 2.330074992e+01 4.573143379e+01 1.64 8.217105564e+01 3.713573978e+01 6.857338843e+01 8.217594346e+01 8.218063696e+01 1.954196560e+01 4.113119730e+01 7.254778435e+01 2.082522729e+01 4.180499115e+01 1.66 7.610187478e+01 3.363557565e+01 6.325888034e+01 7.610640307e+01 7.611094999e+01 1.747815286e+01 3.747088301e+01 6.701149324e+01 1.854663069e+01 3.815168932e+01 1.68 7.043431038e+01 3.040340803e+01 5.830171938e+01 7.043843243e+01 7.044283476e+01 1.557773411e+01 3.406562951e+01 6.184523541e+01 1.645140250e+01 3.475110434e+01 1.70 6.513945731e+01 2.741229004e+01 5.367629753e+01 6.514340150e+01 6.514766093e+01 1.382981535e+01 3.088702101e+01 5.702248339e+01 1.452674022e+01 3.157212597e+01 1.72 6.019143544e+01 2.464609628e+01 4.935903675e+01 6.019501032e+01 6.019893065e+01 1.222418852e+01 2.795114092e+01 5.251911458e+01 1.276088344e+01 2.863148993e+01 1.74 5.556599016e+01 2.208931232e+01 4.532820616e+01 5.556915480e+01 5.557269096e+01 1.075126776e+01 2.523037760e+01 4.831261385e+01 1.114273246e+01 2.590399182e+01 1.76 5.124074958e+01 1.972809777e+01 4.156375775e+01 5.124352640e+01 5.124669717e+01 9.402033288e+00 2.271090503e+01 4.438239818e+01 9.661892629e+00 2.337584767e+01 1.78 4.719455429e+01 1.754920320e+01 3.804673094e+01 4.719721767e+01 4.720012621e+01 8.167571177e+00 2.037945424e+01 4.070892323e+01 8.308563185e+00 2.103366233e+01 1.80 4.340860226e+01 1.554032527e+01 3.474754074e+01 4.341128275e+01 4.341398442e+01 7.040039521e+00 1.822353220e+01 3.727490646e+01 7.073537279e+00 1.886557375e+01 1.82 3.986549707e+01 1.368993594e+01 3.168101334e+01 3.986819407e+01 3.987070045e+01 6.012059334e+00 1.623166020e+01 3.405171178e+01 5.948420821e+00 1.686048833e+01 1.84 3.654889138e+01 1.198718037e+01 2.882505189e+01 3.655155369e+01 3.655387579e+01 5.076461852e+00 1.439285327e+01 3.105654385e+01 4.925052945e+00 1.500777252e+01 1.86 3.343209198e+01 1.042189669e+01 2.616668236e+01 3.343452749e+01 3.343667141e+01 4.226466254e+00 1.269696594e+01 2.826570699e+01 3.995922356e+00 1.329744562e+01 1.88 3.053361577e+01 8.984441966e+00 2.369351921e+01 3.053584997e+01 3.053783929e+01 3.455262951e+00 1.113427243e+01 2.566668703e+01 3.154092177e+00 1.172002045e+01 1.90 2.782938233e+01 7.665740922e+00 2.139384257e+01 2.783146452e+01 2.783335007e+01 2.756278111e+00 9.696078594e+00 2.324768109e+01 2.392937904e+00 1.026653963e+01 1.92 2.530781668e+01 6.457749981e+00 1.925719766e+01 2.530975283e+01 2.531154192e+01 2.124685149e+00 8.374003922e+00 2.099766062e+01 1.706245672e+00 8.928980165e+00 1.94 2.295791614e+01 5.352555975e+00 1.727339023e+01 2.295971196e+01 2.296141146e+01 1.555110593e+00 7.160149192e+00 1.890593061e+01 1.088190795e+00 7.699562565e+00 1.96 2.076930063e+01 4.342593392e+00 1.543282443e+01 2.077094169e+01 2.077255805e+01 1.042503619e+00 6.046968638e+00 1.696274541e+01 5.332479344e-01 6.570971056e+00 1.98 1.873217877e+01 3.420934592e+00 1.372646858e+01 1.873354821e+01 1.873508747e+01 5.829393558e-01 5.027599769e+00 1.515872863e+01 3.606885846e-02 5.536325216e+00 2.00 1.683732249e+01 2.581322530e+00 1.214582289e+01 1.683841932e+01 1.683988625e+01 1.722150245e-01 4.095533694e+00 1.348508195e+01 -4.075426895e-01 4.589154136e+00 2.02 1.507496359e+01 1.818138547e+00 1.068288904e+01 1.507618431e+01 1.507771575e+01 -1.948725532e-01 3.244637613e+00 1.193355773e+01 -8.015860025e-01 3.723372805e+00 2.04 1.343771845e+01 1.125809476e+00 9.330141461e+00 1.343914921e+01 1.344077816e+01 -5.221720181e-01 2.469156879e+00 1.049673323e+01 -1.150919549e+00 2.933260575e+00 2.06 1.191804011e+01 4.991259157e-01 8.080204736e+00 1.191963151e+01 1.192130354e+01 -8.132473161e-01 1.763684953e+00 9.167325591e+00 -1.459678200e+00 2.213441368e+00 2.08 1.050863655e+01 -6.677994569e-02 6.926186757e+00 1.051028771e+01 1.051189782e+01 -1.071388748e+00 1.122967799e+00 7.938479904e+00 -1.731339339e+00 1.558865407e+00 2.10 9.202635182e+00 -5.764551179e-01 5.862330513e+00 9.204351009e+00 9.205901151e+00 -1.299627888e+00 5.423250648e-01 6.803745193e+00 -1.969012272e+00 9.647923155e-01 2.12 7.993559806e+00 -1.034063296e+00 4.882109405e+00 7.995209039e+00 7.996701283e+00 -1.501523790e+00 1.713178663e-02 5.757051693e+00 -2.175752573e+00 4.267752952e-01 2.14 6.875308815e+00 -1.442206480e+00 3.980336482e+00 6.876832005e+00 6.878268510e+00 -1.679149271e+00 -4.564503815e-01 4.792383950e+00 -2.354379936e+00 -5.935373570e-02 2.16 5.842135724e+00 -1.805983625e+00 3.152092374e+00 5.843532207e+00 5.844915202e+00 -1.834479553e+00 -8.815715360e-01 3.904670835e+00 -2.507492431e+00 -4.971663059e-01 2.18 4.888379092e+00 -2.128910674e+00 2.392492782e+00 4.889710854e+00 4.891042617e+00 -1.969637580e+00 -1.261749026e+00 3.088863908e+00 -2.637837865e+00 -8.906554668e-01 2.20 4.009128427e+00 -2.414207496e+00 1.696947568e+00 4.010411290e+00 4.011694153e+00 -2.085680571e+00 -1.601255902e+00 2.340216669e+00 -2.747455412e+00 -1.243524148e+00 2.22 3.199640454e+00 -2.664872931e+00 1.061143975e+00 3.200876135e+00 3.202111817e+00 -2.184835551e+00 -1.903268611e+00 1.654267442e+00 -2.838271269e+00 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