# Potential energy (eV/atom) vs. nearest neighbor 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 # 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.356112465e+04 nan 0.78 nan nan nan nan nan nan nan nan 1.239639602e+04 nan 0.80 nan nan nan nan nan nan nan nan 1.134924616e+04 nan 0.82 nan nan nan nan nan 8.799801046e+03 nan nan 1.040042419e+04 nan 0.84 nan nan nan nan nan 8.042867142e+03 nan nan 9.537422556e+03 nan 0.86 nan nan nan nan nan 7.353704474e+03 nan nan 8.753810898e+03 nan 0.88 nan nan nan nan nan 6.720558273e+03 nan nan 8.039869390e+03 nan 0.90 nan nan nan nan nan 6.141362322e+03 nan nan 7.387708773e+03 nan 0.92 nan nan nan 1.455471780e+04 1.455444544e+04 5.612018795e+03 nan nan 6.791265469e+03 9.730754672e+03 0.94 nan 8.973886952e+03 nan 1.351513965e+04 1.351444338e+04 5.124107858e+03 9.145253852e+03 nan 6.245384622e+03 9.002317023e+03 0.96 nan 8.307287452e+03 nan 1.256334488e+04 1.256349593e+04 4.672377663e+03 8.469668563e+03 nan 5.742764247e+03 8.329897731e+03 0.98 nan 7.693891513e+03 nan 1.168887455e+04 1.169022961e+04 4.254758501e+03 7.846349790e+03 nan 5.278292756e+03 7.713623477e+03 1.00 nan 7.130489566e+03 nan 1.088216293e+04 1.088329344e+04 3.868348190e+03 7.271906837e+03 nan 4.848968110e+03 7.148871732e+03 1.02 nan 6.611356710e+03 nan 1.013886525e+04 1.013949826e+04 3.511696983e+03 6.742427693e+03 nan 4.450739538e+03 6.624889068e+03 1.04 nan 6.130964894e+03 8.525954373e+03 9.454747433e+03 9.454605488e+03 3.180979492e+03 6.253222215e+03 8.804141109e+03 4.080802411e+03 6.140929763e+03 1.06 8.823395655e+03 5.686289951e+03 7.947783497e+03 8.822157913e+03 8.821080609e+03 2.872368220e+03 5.799210913e+03 8.210668005e+03 3.736832779e+03 5.694213107e+03 1.08 8.239863876e+03 5.274751513e+03 7.413555101e+03 8.235606729e+03 8.233923503e+03 2.585588347e+03 5.379700114e+03 7.659857722e+03 3.416888863e+03 5.278471598e+03 1.10 7.695901801e+03 4.893259933e+03 6.916417476e+03 7.692110518e+03 7.690607912e+03 2.318629060e+03 4.991267648e+03 7.146779456e+03 3.119102186e+03 4.890020771e+03 1.12 7.190576691e+03 4.537401395e+03 6.454782166e+03 7.188740163e+03 7.187435402e+03 2.068688164e+03 4.629382091e+03 6.670246114e+03 2.841572542e+03 4.525432765e+03 1.14 6.719874543e+03 4.204271489e+03 6.025850559e+03 6.720497530e+03 6.719870177e+03 1.835580863e+03 4.289394038e+03 6.228052691e+03 2.581963206e+03 4.184591698e+03 1.16 6.281867944e+03 3.893993952e+03 5.623756957e+03 6.284163885e+03 6.284798788e+03 1.617882225e+03 3.970201530e+03 5.815934493e+03 2.338637640e+03 3.867196610e+03 1.18 5.873884526e+03 3.603003614e+03 5.246871500e+03 5.877043813e+03 5.878509924e+03 1.414427892e+03 3.670510468e+03 5.431783522e+03 2.110378781e+03 3.571736249e+03 1.20 5.492621547e+03 3.330706995e+03 4.896429002e+03 5.495920399e+03 5.497436512e+03 1.225623978e+03 3.389825350e+03 5.073248501e+03 1.895905032e+03 3.295174507e+03 1.22 5.137570049e+03 3.075862569e+03 4.570653277e+03 5.139311241e+03 5.140311182e+03 1.051118046e+03 3.127246816e+03 4.739097156e+03 1.694699534e+03 3.035416569e+03 1.24 4.806407843e+03 2.834987747e+03 4.265716911e+03 4.805701289e+03 4.806144317e+03 8.898581206e+02 2.880155327e+03 4.426020989e+03 1.504666354e+03 2.790897714e+03 1.26 4.495085936e+03 2.606893882e+03 3.978008024e+03 4.493203646e+03 4.493276671e+03 7.384425537e+02 2.647332468e+03 4.131575431e+03 1.324717060e+03 2.560518955e+03 1.28 4.202104403e+03 2.392251684e+03 3.707767197e+03 4.200100288e+03 4.199758804e+03 5.960389950e+02 2.427976448e+03 3.854551696e+03 1.154570958e+03 2.342982980e+03 1.30 3.926871893e+03 2.189636589e+03 3.454930365e+03 3.924376508e+03 3.923379548e+03 4.629302053e+02 2.220789330e+03 3.593220587e+03 9.935395203e+02 2.138394002e+03 1.32 3.665926427e+03 1.996516184e+03 3.215187228e+03 3.663787797e+03 3.662304331e+03 3.376397723e+02 2.025561796e+03 3.345997966e+03 8.412192322e+02 1.944126304e+03 1.34 3.418326779e+03 1.813165026e+03 2.987103180e+03 3.417275794e+03 3.415859061e+03 2.196852372e+02 1.840930440e+03 3.111441729e+03 6.979523504e+02 1.759461960e+03 1.36 3.183985855e+03 1.640076098e+03 2.769501160e+03 3.184239177e+03 3.183358986e+03 1.082479603e+02 1.665358745e+03 2.889495329e+03 5.625355363e+02 1.583607643e+03 1.38 2.963746589e+03 1.475433680e+03 2.562431939e+03 2.964096346e+03 2.963550405e+03 4.959908525e+01 1.497548406e+03 2.679906131e+03 4.340340352e+02 1.415945844e+03 1.40 2.754946123e+03 1.317499984e+03 2.366618509e+03 2.755521116e+03 2.755452788e+03 3.825086176e+01 1.337244162e+03 2.480761614e+03 3.122988524e+02 1.256474778e+03 1.42 2.555666001e+03 1.166059387e+03 2.180896337e+03 2.556838313e+03 2.557246316e+03 3.390835523e+01 1.184546119e+03 2.291356232e+03 1.972369458e+02 1.106061980e+03 1.44 2.365329078e+03 1.021699255e+03 2.004092516e+03 2.367459630e+03 2.368283249e+03 3.046756656e+01 1.039458403e+03 2.111334602e+03 8.929248550e+01 9.640869256e+02 1.46 2.184467554e+03 8.851644644e+02 1.836388629e+03 2.187115774e+03 2.188195790e+03 2.738766448e+01 9.009711676e+02 1.940263389e+03 4.643850663e+01 8.286243966e+02 1.48 2.014286933e+03 7.551256870e+02 1.676497474e+03 2.015632195e+03 2.016644985e+03 2.462454066e+01 7.688187011e+02 1.777877464e+03 3.749563722e+01 7.000547345e+02 1.50 1.852224259e+03 6.302619502e+02 1.523069570e+03 1.851866610e+03 1.852624998e+03 2.214475907e+01 6.425638543e+02 1.622470570e+03 3.335682679e+01 5.774912578e+02 1.52 1.696540633e+03 5.102562958e+02 1.376138138e+03 1.695203734e+03 1.695590990e+03 1.991048564e+01 5.218829841e+02 1.473409441e+03 2.985976811e+01 4.602570611e+02 1.54 1.547530954e+03 3.951642232e+02 1.236593703e+03 1.545520140e+03 1.545406795e+03 1.789915427e+01 4.071751919e+02 1.330453719e+03 2.668740882e+01 3.483020486e+02 1.56 1.404367219e+03 2.850552220e+02 1.104304893e+03 1.402471398e+03 1.402071338e+03 1.608584843e+01 2.980445306e+02 1.193357605e+03 2.383033633e+01 2.412273930e+02 1.58 1.266598964e+03 1.802667342e+02 9.773188290e+02 1.265463861e+03 1.265007759e+03 1.443095160e+01 1.932649904e+02 1.062269970e+03 2.124408599e+01 1.389064873e+02 1.60 1.134636242e+03 8.309647498e+01 8.543451024e+02 1.134058065e+03 1.133542596e+03 1.292414109e+01 9.299336921e+01 9.366053455e+02 1.889686941e+01 6.145338419e+01 1.62 1.008332816e+03 4.657351807e+01 7.356717218e+02 1.007950361e+03 1.007339475e+03 1.154899193e+01 4.846220230e+01 8.158349688e+02 1.676782996e+01 4.195324527e+01 1.64 8.867388644e+02 3.792388035e+01 6.214656433e+02 8.866342915e+02 8.859367885e+02 1.028630535e+01 3.847141926e+01 6.995557314e+02 1.483777123e+01 3.625339194e+01 1.66 7.699223280e+02 3.383482084e+01 5.112917680e+02 7.701879019e+02 7.693792100e+02 9.127595398e+00 3.426496872e+01 5.878509767e+02 1.308371904e+01 3.268213241e+01 1.68 6.580773340e+02 3.039299507e+01 4.050171494e+02 6.584078545e+02 6.575335199e+02 8.063021125e+00 3.087444889e+01 4.807194963e+02 1.148633240e+01 2.951001479e+01 1.70 5.507263502e+02 2.722528208e+01 3.025344605e+02 5.509864245e+02 5.503025770e+02 7.084403363e+00 2.777598901e+01 3.776485497e+02 1.002855317e+01 2.659490191e+01 1.72 4.468300592e+02 2.433454163e+01 2.037661095e+02 4.475102511e+02 4.474220460e+02 6.184704013e+00 2.495853025e+01 2.781187655e+02 8.698090654e+00 2.393115971e+01 1.74 3.463858319e+02 2.169349493e+01 1.088088817e+02 3.475333107e+02 3.480348901e+02 5.358444861e+00 2.238928921e+01 1.821258571e+02 7.484019752e+00 2.149776528e+01 1.76 2.497834851e+02 1.927774979e+01 5.364304254e+01 2.510661079e+02 2.519600699e+02 4.600341969e+00 2.004345990e+01 9.050359110e+01 6.377349630e+00 1.927938602e+01 1.78 1.573923367e+02 1.706707479e+01 4.047191458e+01 1.582429611e+02 1.592730122e+02 3.898308780e+00 1.789796202e+01 4.965343574e+01 5.368785248e+00 1.725086490e+01 1.80 7.484056962e+01 1.504424174e+01 3.572152945e+01 7.504138264e+01 7.568821659e+01 3.245828157e+00 1.593073253e+01 3.938039619e+01 4.447568539e+00 1.538504143e+01 1.82 4.614927252e+01 1.319638729e+01 3.234205848e+01 4.614616329e+01 4.628561023e+01 2.643787407e+00 1.412914926e+01 3.512689381e+01 3.610158663e+00 1.367271542e+01 1.84 3.830535082e+01 1.150901957e+01 2.926170902e+01 3.830151202e+01 3.832846454e+01 2.088131075e+00 1.247356222e+01 3.184513888e+01 2.847865183e+00 1.209897455e+01 1.86 3.447908600e+01 9.969718838e+00 2.641914317e+01 3.447913191e+01 3.448769822e+01 1.577110306e+00 1.095291216e+01 2.882875653e+01 2.153225927e+00 1.065371258e+01 1.88 3.132232063e+01 8.565309771e+00 2.381608494e+01 3.132448849e+01 3.132932321e+01 1.104358989e+00 9.549486915e+00 2.604558275e+01 1.523941977e+00 9.326300148e+00 1.90 2.840215014e+01 7.279079362e+00 2.141929511e+01 2.840469276e+01 2.840780832e+01 6.573105226e-01 8.258832859e+00 2.348823393e+01 9.544671156e-01 8.101936356e+00 1.92 2.570485869e+01 6.107993624e+00 1.921526141e+01 2.570754623e+01 2.570991156e+01 2.500077532e-01 7.073395354e+00 2.113937872e+01 4.406449861e-01 6.978477223e+00 1.94 2.321980359e+01 5.041786626e+00 1.718718215e+01 2.322505335e+01 2.322794054e+01 -1.225501375e-01 5.986521149e+00 1.897881156e+01 -2.119677331e-02 5.947768444e+00 1.96 2.092926188e+01 4.066771415e+00 1.532155625e+01 2.093917619e+01 2.094295661e+01 -4.623472360e-01 4.989749661e+00 1.698959474e+01 -4.353889722e-01 5.003464813e+00 1.98 1.882306008e+01 3.176526452e+00 1.360391728e+01 1.883352129e+01 1.883718123e+01 -7.715730459e-01 4.076785566e+00 1.516265423e+01 -8.089986668e-01 4.139377117e+00 2.00 1.689368146e+01 2.358271810e+00 1.202046178e+01 1.689935751e+01 1.690111465e+01 -1.052525689e+00 3.241653623e+00 1.347685626e+01 -1.145952896e+00 3.349515039e+00 2.02 1.511109479e+01 1.614337588e+00 1.056018627e+01 1.511315664e+01 1.511399758e+01 -1.307449304e+00 2.478444299e+00 1.191695697e+01 -1.449810548e+00 2.628135882e+00 2.04 1.345933774e+01 9.376219366e-01 9.215012911e+00 1.346119379e+01 1.346338233e+01 -1.538353556e+00 1.782389965e+00 1.047637529e+01 -1.718911595e+00 1.969786452e+00 2.06 1.193159518e+01 3.241086435e-01 7.974924296e+00 1.193470732e+01 1.193947740e+01 -1.746923841e+00 1.149205619e+00 9.144821206e+00 -1.959663462e+00 1.369390215e+00 2.08 1.051598762e+01 -2.297361929e-01 6.823870828e+00 1.052011721e+01 1.052598249e+01 -1.934729838e+00 5.733853670e-01 7.915527009e+00 -2.175569305e+00 8.224362748e-01 2.10 9.204770897e+00 -7.272312452e-01 5.767155818e+00 9.211970285e+00 9.219510492e+00 -2.104088014e+00 5.241696830e-02 6.782581499e+00 -2.365748509e+00 3.252344016e-01 2.12 7.991706667e+00 -1.171716809e+00 4.789594809e+00 8.001281984e+00 8.010071541e+00 -2.260127429e+00 -4.205334710e-01 5.739546125e+00 -2.533309507e+00 -1.249978153e-01 2.14 6.871574410e+00 -1.566703933e+00 3.882542434e+00 6.881193893e+00 6.890571490e+00 -2.402437868e+00 -8.438727525e-01 4.776568537e+00 -2.680244533e+00 -5.307403624e-01 2.16 5.838976193e+00 -1.915905740e+00 3.049757754e+00 5.848075192e+00 5.857259937e+00 -2.525428379e+00 -1.221856441e+00 3.890421257e+00 -2.808687360e+00 -8.963625580e-01 2.18 4.885857086e+00 -2.223155663e+00 2.284267756e+00 4.894024612e+00 4.902378709e+00 -2.631081359e+00 -1.557830366e+00 3.075194775e+00 -2.921958763e+00 -1.233278654e+00 2.20 4.006634808e+00 -2.492256103e+00 1.582288709e+00 4.013915291e+00 4.021195774e+00 -2.719756622e+00 -1.855208906e+00 2.326009346e+00 -3.022310756e+00 -1.540805505e+00 2.22 3.197849100e+00 -2.726843058e+00 9.404435273e-01 3.204032105e+00 3.210215109e+00 -2.791779269e+00 -2.117375777e+00 1.638675382e+00 -3.109462256e+00 -1.814194101e+00 2.24 2.453551199e+00 -2.930406509e+00 3.557396125e-01 2.457405959e+00 2.461260720e+00 -2.847509904e+00 -2.347577061e+00 1.009115749e+00 -3.181953005e+00 -2.058639778e+00 2.26 1.768907812e+00 -3.106687922e+00 -1.745674263e-01 1.768573477e+00 1.768239143e+00 -2.887496298e+00 -2.548867716e+00 4.319090997e-01 -3.240383539e+00 -2.276877581e+00 2.28 1.139697407e+00 -3.260796010e+00 -6.533305903e-01 1.136034221e+00 1.132371036e+00 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