# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--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 2.040143380e+03 nan 0.70 nan nan nan nan nan nan nan nan 1.823295286e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.632805393e+03 nan 0.74 nan nan nan nan nan 1.275415542e+03 nan nan 1.465001202e+03 nan 0.76 nan nan nan nan nan 1.147475814e+03 nan nan 1.316789787e+03 nan 0.78 nan nan nan nan nan 1.034127909e+03 nan nan 1.185556988e+03 nan 0.80 nan nan nan nan nan 9.334644764e+02 nan nan 1.069082740e+03 nan 0.82 nan nan nan nan nan 8.438615145e+02 nan nan 9.654765747e+02 nan 0.84 nan nan nan 1.985047896e+03 1.985081358e+03 7.639321503e+02 nan nan 8.731219349e+02 1.278283965e+03 0.86 nan 1.135259802e+03 nan 1.808967402e+03 1.808998925e+03 6.924859912e+02 1.171613631e+03 nan 7.906309177e+02 1.161180951e+03 0.88 nan 1.031298721e+03 nan 1.650638687e+03 1.650668351e+03 6.284996408e+02 1.065262515e+03 nan 7.168091378e+02 1.056146014e+03 0.90 nan 9.379592692e+02 nan 1.508015576e+03 1.508043478e+03 5.710891231e+02 9.697208402e+02 nan 6.506252033e+02 9.617645616e+02 0.92 nan 8.540141557e+02 nan 1.379320502e+03 1.379346841e+03 5.194877599e+02 8.837421040e+02 nan 5.911859139e+02 8.768087357e+02 0.94 nan 7.783950498e+02 nan 1.263003334e+03 1.263028305e+03 4.730312886e+02 8.062423116e+02 nan 5.377153517e+02 8.002107193e+02 0.96 1.157685861e+03 7.101700349e+02 1.028510006e+03 1.157709703e+03 1.157733385e+03 4.311407511e+02 7.362748517e+02 1.066778339e+03 4.895382783e+02 7.310398887e+02 0.98 1.062229999e+03 6.485246245e+02 9.426579572e+02 1.062252595e+03 1.062274844e+03 3.933105103e+02 6.730130198e+02 9.780661818e+02 4.460653237e+02 6.684817841e+02 1.00 9.755690702e+02 5.927441221e+02 8.647793395e+02 9.755900414e+02 9.756109794e+02 3.590977055e+02 6.157318471e+02 8.975720902e+02 4.067806237e+02 6.118217719e+02 1.02 8.967847810e+02 5.422014550e+02 7.940360485e+02 8.968041464e+02 8.968238967e+02 3.281137440e+02 5.637941689e+02 8.244346751e+02 3.712317341e+02 5.604333561e+02 1.04 8.250662896e+02 4.963439373e+02 7.296899123e+02 8.250846057e+02 8.251032457e+02 3.000165574e+02 5.166389945e+02 7.578940358e+02 3.390209877e+02 5.137641032e+02 1.06 7.596981688e+02 4.546846285e+02 6.710887307e+02 7.597153509e+02 7.597330340e+02 2.745049893e+02 4.737716601e+02 6.972787203e+02 3.097979549e+02 4.713261317e+02 1.08 7.000449021e+02 4.167924396e+02 6.176537522e+02 7.000616623e+02 7.000785161e+02 2.513124847e+02 4.347542135e+02 6.419937898e+02 2.832532562e+02 4.326889937e+02 1.10 6.455438605e+02 3.822862029e+02 5.688725391e+02 6.455601541e+02 6.455762352e+02 2.302031851e+02 3.991989931e+02 5.915117530e+02 2.591133758e+02 3.974711075e+02 1.12 5.956935277e+02 3.508276322e+02 5.242894317e+02 5.957091646e+02 5.957245082e+02 2.109683459e+02 3.667620346e+02 5.453630875e+02 2.371358448e+02 3.653339444e+02 1.14 5.500473854e+02 3.221165927e+02 4.834980675e+02 5.500621755e+02 5.500768437e+02 1.934221524e+02 3.371380787e+02 5.031294911e+02 2.171055118e+02 3.359761784e+02 1.16 5.082068853e+02 2.958852552e+02 4.461370195e+02 5.082207478e+02 5.082346389e+02 1.773993622e+02 3.100548366e+02 4.644382305e+02 1.988309934e+02 3.091293357e+02 1.18 4.698154301e+02 2.718952735e+02 4.118830175e+02 4.698284527e+02 4.698415776e+02 1.627526342e+02 2.852695403e+02 4.289560156e+02 1.821417900e+02 2.845536976e+02 1.20 4.345542333e+02 2.499338453e+02 3.804466275e+02 4.345664519e+02 4.345788842e+02 1.493503302e+02 2.625651970e+02 3.963846526e+02 1.668858080e+02 2.620355300e+02 1.22 4.021372226e+02 2.298104472e+02 3.515681146e+02 4.021487081e+02 4.021605253e+02 1.370745368e+02 2.417475681e+02 3.664567617e+02 1.529270075e+02 2.413834093e+02 1.24 3.723070805e+02 2.113548359e+02 3.250151294e+02 3.723182040e+02 3.723294910e+02 1.258198454e+02 2.226428564e+02 3.389324354e+02 1.401438575e+02 2.224255944e+02 1.26 3.448333145e+02 1.944143944e+02 3.005788499e+02 3.448440927e+02 3.448548658e+02 1.154919236e+02 2.050950676e+02 3.135963079e+02 1.284274509e+02 2.050080062e+02 1.28 3.195080495e+02 1.788517967e+02 2.780714312e+02 3.195183392e+02 3.195286287e+02 1.060062140e+02 1.889637972e+02 2.902543608e+02 1.176799632e+02 1.889921233e+02 1.30 2.961436747e+02 1.645433954e+02 2.573230662e+02 2.961536064e+02 2.961634859e+02 9.728636220e+01 1.741228864e+02 2.687318872e+02 1.078133897e+02 1.742530927e+02 1.32 2.745712013e+02 1.513783632e+02 2.381813292e+02 2.745808128e+02 2.745903342e+02 8.926388406e+01 1.604584733e+02 2.488711987e+02 9.874869249e+01 1.606787179e+02 1.34 2.546378374e+02 1.392565435e+02 2.205083939e+02 2.546471114e+02 2.546562969e+02 8.187702020e+01 1.478679365e+02 2.305300115e+02 9.041441547e+01 1.481677258e+02 1.36 2.362053336e+02 1.280873463e+02 2.041795850e+02 2.362141366e+02 2.362228827e+02 7.507007841e+01 1.362586210e+02 2.135795483e+02 8.274619718e+01 1.366285458e+02 1.38 2.191481656e+02 1.177889584e+02 1.890820162e+02 2.191565630e+02 2.191648985e+02 6.879275730e+01 1.255468836e+02 1.979029452e+02 7.568607465e+01 1.259783276e+02 1.40 2.033527059e+02 1.082876345e+02 1.751131449e+02 2.033607066e+02 2.033686185e+02 6.299955724e+01 1.156568544e+02 1.833945944e+02 6.918150479e+01 1.161420124e+02 1.42 1.887160057e+02 9.951637149e+01 1.621799515e+02 1.887235151e+02 1.887309948e+02 5.764917294e+01 1.065197591e+02 1.699585664e+02 6.318491508e+01 1.070514591e+02 1.44 1.751443232e+02 9.141437863e+01 1.501983162e+02 1.751512993e+02 1.751583531e+02 5.270439052e+01 9.807302203e+01 1.575075994e+02 5.765316320e+01 9.864453382e+01 1.46 1.625523554e+02 8.392619976e+01 1.390914303e+02 1.625587075e+02 1.625653450e+02 4.813128054e+01 9.025999473e+01 1.459623678e+02 5.254723155e+01 9.086543829e+01 1.48 1.508620652e+02 7.700161789e+01 1.287893756e+02 1.508679778e+02 1.508742386e+02 4.389905691e+01 8.302904216e+01 1.352505783e+02 4.783166222e+01 8.366302219e+01 1.50 1.400024981e+02 7.059508895e+01 1.192286113e+02 1.400082261e+02 1.400141600e+02 3.997992973e+01 7.633315424e+01 1.253064544e+02 4.347408860e+01 7.699077293e+01 1.52 1.299093195e+02 6.466502228e+01 1.103510591e+02 1.299148708e+02 1.299205005e+02 3.634851712e+01 7.012956811e+01 1.160700704e+02 3.944519800e+01 7.080643661e+01 1.54 1.205233758e+02 5.917342096e+01 1.021035400e+02 1.205287857e+02 1.205341574e+02 3.298170558e+01 6.437915783e+01 1.074865263e+02 3.571830158e+01 6.507133755e+01 1.56 1.117906268e+02 5.408561190e+01 9.443734415e+01 1.117959194e+02 1.118010635e+02 2.985410160e+01 5.904610606e+01 9.950578287e+01 3.226900826e+01 5.975017658e+01 1.58 1.036617345e+02 4.936985941e+01 8.730809435e+01 1.036668129e+02 1.036717149e+02 2.696026939e+01 5.409800004e+01 9.208184138e+01 2.907341475e+01 5.481073341e+01 1.60 9.609138231e+01 4.499708081e+01 8.067539317e+01 9.609620892e+01 9.610088190e+01 2.428463921e+01 4.950504353e+01 8.517271717e+01 2.612752581e+01 5.022348345e+01 1.62 8.903784358e+01 4.094085561e+01 7.450200525e+01 8.904248458e+01 8.904696340e+01 2.181293743e+01 4.523994297e+01 7.873988741e+01 2.341056980e+01 4.596123194e+01 1.64 8.246313933e+01 3.717692934e+01 6.875366643e+01 8.246758918e+01 8.247188769e+01 1.953175273e+01 4.127768391e+01 7.274805523e+01 2.090683919e+01 4.199938505e+01 1.66 7.633223510e+01 3.367905238e+01 6.339904369e+01 7.633644178e+01 7.634057181e+01 1.742875299e+01 3.759528274e+01 6.716473611e+01 1.860167086e+01 3.831524920e+01 1.68 7.061287406e+01 3.044159201e+01 5.840929624e+01 7.061680430e+01 7.062077607e+01 1.549236439e+01 3.417164687e+01 6.196001009e+01 1.648150804e+01 3.488795639e+01 1.70 6.527526584e+01 2.744549255e+01 5.375787609e+01 6.527899828e+01 6.528282052e+01 1.371172046e+01 3.098548181e+01 5.710636489e+01 1.453363876e+01 3.169439193e+01 1.72 6.029223575e+01 2.467462127e+01 4.942033721e+01 6.029570948e+01 6.029931620e+01 1.207660928e+01 2.803431836e+01 5.257858492e+01 1.274627775e+01 2.873203784e+01 1.74 5.563861191e+01 2.211368368e+01 4.537415205e+01 5.564180126e+01 5.564516214e+01 1.057741229e+01 2.529912268e+01 4.835333622e+01 1.110835785e+01 2.598383674e+01 1.76 5.129116998e+01 1.974862113e+01 4.159854565e+01 5.129407425e+01 5.129718434e+01 9.205050864e+00 2.276592546e+01 4.440916894e+01 9.609504913e+00 2.343607162e+01 1.78 4.722828256e+01 1.756617564e+01 3.807418185e+01 4.723099683e+01 4.723388591e+01 7.950674155e+00 2.042153338e+01 4.072609095e+01 8.239946159e+00 2.107567359e+01 1.80 4.343018942e+01 1.555398314e+01 3.477915657e+01 4.343278538e+01 4.343547761e+01 6.806226733e+00 1.825353421e+01 3.728589433e+01 6.990479452e+00 1.889062116e+01 1.82 3.987867022e+01 1.370048056e+01 3.170947187e+01 3.988117251e+01 3.988367809e+01 5.764131159e+00 1.625039409e+01 3.406768209e+01 5.852616081e+00 1.686970623e+01 1.84 3.655678901e+01 1.199481517e+01 2.885058565e+01 3.655920037e+01 3.656152919e+01 4.817083996e+00 1.440118708e+01 3.106978529e+01 4.818192985e+00 1.500231853e+01 1.86 3.344546291e+01 1.042682617e+01 2.618950369e+01 3.344772096e+01 3.344987931e+01 3.958155127e+00 1.269573593e+01 2.827654286e+01 3.879623662e+00 1.327848867e+01 1.88 3.054450509e+01 8.986920372e+00 2.371392212e+01 3.054661311e+01 3.054861220e+01 3.180467387e+00 1.112436976e+01 2.567542312e+01 3.029864087e+00 1.168877993e+01 1.90 2.783815032e+01 7.666063591e+00 2.141219382e+01 2.784012571e+01 2.784199259e+01 2.477350963e+00 9.678253182e+00 2.325460723e+01 2.262213752e+00 1.022426843e+01 1.92 2.531473193e+01 6.456090650e+00 1.927361557e+01 2.531657887e+01 2.531832613e+01 1.843576976e+00 8.348986945e+00 2.100300018e+01 1.570374977e+00 8.876792888e+00 1.94 2.296321846e+01 5.349124753e+00 1.728798829e+01 2.296494103e+01 2.296658016e+01 1.273599552e+00 7.128662600e+00 1.891001309e+01 9.484332509e-01 7.638550402e+00 1.96 2.077320387e+01 4.337662498e+00 1.544571197e+01 2.077479734e+01 2.077633879e+01 7.621937162e-01 6.009760512e+00 1.696579571e+01 3.907818778e-01 6.502194188e+00 1.98 1.873487337e+01 3.414772471e+00 1.373775128e+01 1.873627960e+01 1.873773286e+01 3.051506772e-01 4.985356846e+00 1.516099325e+01 -1.079888454e-01 5.460806192e+00 2.00 1.683897441e+01 2.574128354e+00 1.215560310e+01 1.684018072e+01 1.684155400e+01 -1.019141588e-01 4.048910154e+00 1.348679253e+01 -5.522660749e-01 4.507872203e+00 2.02 1.507621875e+01 1.810014215e+00 1.069126605e+01 1.507742445e+01 1.507879521e+01 -4.641864962e-01 3.194260113e+00 1.193491251e+01 -9.462048899e-01 3.637259173e+00 2.04 1.343871228e+01 1.116857959e+00 9.337211616e+00 1.343999277e+01 1.344139596e+01 -7.856825599e-01 2.415621295e+00 1.049776778e+01 -1.294634000e+00 2.843194605e+00 2.06 1.191880599e+01 4.894496086e-01 8.086168845e+00 1.192016193e+01 1.192158266e+01 -1.070124204e+00 1.707555710e+00 9.168072867e+00 -1.601751344e+00 2.120247642e+00 2.08 1.050920445e+01 -7.708063388e-02 6.931286933e+00 1.051059376e+01 1.051197644e+01 -1.320948930e+00 1.064812264e+00 7.938970412e+00 -1.871146969e+00 1.463311675e+00 2.10 9.203031983e+00 -5.872829422e-01 5.866609337e+00 9.204466399e+00 9.205811362e+00 -1.541323858e+00 4.826516039e-01 6.804007159e+00 -2.106040963e+00 8.675882516e-01 2.12 7.993809567e+00 -1.045325139e+00 4.885800682e+00 7.995211872e+00 7.996519629e+00 -1.734868399e+00 -4.356397594e-02 5.757111205e+00 -2.309568717e+00 3.285720188e-01 2.14 6.875433027e+00 -1.454043425e+00 3.983528273e+00 6.876759877e+00 6.878031095e+00 -1.903823092e+00 -5.177747898e-01 4.792353180e+00 -2.484624073e+00 -1.579634320e-01 2.16 5.842153170e+00 -1.818262837e+00 3.154789082e+00 5.843397784e+00 5.844633272e+00 -2.050291710e+00 -9.432747811e-01 3.904556621e+00 -2.633873324e+00 -5.956939130e-01 2.18 4.888379087e+00 -2.141513665e+00 2.394704506e+00 4.889579773e+00 4.890780459e+00 -2.176479197e+00 -1.323603181e+00 3.088673123e+00 -2.760101053e+00 -9.886139569e-01 2.20 4.009128423e+00 -2.427027567e+00 1.698689073e+00 4.010295363e+00 4.011462303e+00 -2.283573556e+00 -1.662923838e+00 2.339956142e+00 -2.865421537e+00 -1.340440482e+00 2.22 3.199640451e+00 -2.677814650e+00 1.062433763e+00 3.200774330e+00 3.201908210e+00 -2.373827775e+00 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