# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--W # implementation = 2001--Lee-B-J--W--LAMMPS--ipr1 # composition = W # 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 5.094075579e+02 nan nan nan nan 0.66 nan nan nan nan nan 4.827493232e+02 nan nan nan nan 0.68 nan nan nan nan nan 4.573996194e+02 nan nan 7.727203875e+02 nan 0.70 nan nan nan nan nan 4.332958420e+02 nan nan 7.268382089e+02 nan 0.72 nan nan nan nan nan 4.103783802e+02 nan nan 6.835381049e+02 nan 0.74 nan nan nan nan nan 3.885904713e+02 nan nan 6.426786241e+02 nan 0.76 nan 1.377805884e+03 nan nan nan 3.678780639e+02 1.040879784e+03 nan 6.041259572e+02 7.845137842e+02 0.78 nan 1.297154630e+03 nan nan nan 3.481896857e+02 9.814264872e+02 nan 5.677535269e+02 7.415045420e+02 0.80 nan 1.220933523e+03 nan nan nan 3.294763188e+02 9.251800353e+02 nan 5.334416003e+02 7.007203203e+02 0.82 nan 1.148908930e+03 1.382308365e+03 nan nan 3.116912809e+02 8.719729313e+02 1.318839803e+03 5.010769214e+02 6.620493780e+02 0.84 1.304479012e+03 1.080859194e+03 1.307715602e+03 1.304474491e+03 1.304469970e+03 2.947901120e+02 8.216462609e+02 1.249781843e+03 4.705523643e+02 6.253855025e+02 0.86 1.237490450e+03 1.016574036e+03 1.236901722e+03 1.237485813e+03 1.237481176e+03 2.787304671e+02 7.740492574e+02 1.184108394e+03 4.417666030e+02 5.906277381e+02 0.88 1.173719739e+03 9.558539763e+02 1.169682820e+03 1.173714984e+03 1.173710228e+03 2.634720138e+02 7.290388896e+02 1.121660551e+03 4.146238010e+02 5.576801279e+02 0.90 1.113018874e+03 8.985097962e+02 1.105883696e+03 1.113013997e+03 1.113009121e+03 2.489763355e+02 6.864794690e+02 1.062286654e+03 3.890333158e+02 5.264514678e+02 0.92 1.055246452e+03 8.443620197e+02 1.045337452e+03 1.055241452e+03 1.055236453e+03 2.352068388e+02 6.462422782e+02 1.005841957e+03 3.649094200e+02 4.968550732e+02 0.94 1.000267388e+03 7.932404229e+02 9.878851071e+02 1.000262262e+03 1.000257136e+03 2.221286660e+02 6.082052167e+02 9.521883232e+02 3.421710375e+02 4.688085563e+02 0.96 9.479526346e+02 7.449835678e+02 9.333752264e+02 9.479473793e+02 9.479421239e+02 2.097086117e+02 5.722524658e+02 9.011939298e+02 3.207414929e+02 4.422336157e+02 0.98 8.981789201e+02 6.994383590e+02 8.816635731e+02 8.981735328e+02 8.981681455e+02 1.979150433e+02 5.382741690e+02 8.527329841e+02 3.005482753e+02 4.170558345e+02 1.00 8.508284955e+02 6.564596224e+02 8.326127719e+02 8.508229734e+02 8.508174512e+02 1.867178261e+02 5.061661300e+02 8.066854549e+02 2.815228142e+02 3.932044898e+02 1.02 8.057888928e+02 6.159097048e+02 7.860919904e+02 8.057832329e+02 8.057775730e+02 1.760882512e+02 4.758295246e+02 7.629368145e+02 2.636002671e+02 3.706123708e+02 1.04 7.629526931e+02 5.776580937e+02 7.419766334e+02 7.629468925e+02 7.629410920e+02 1.659989677e+02 4.471706277e+02 7.213777919e+02 2.467193197e+02 3.492156060e+02 1.06 7.222173059e+02 5.415810554e+02 7.001480528e+02 7.222113617e+02 7.222054174e+02 1.564239181e+02 4.201005545e+02 6.819041375e+02 2.308219950e+02 3.289534990e+02 1.08 6.834847568e+02 5.075612919e+02 6.604932693e+02 6.834786658e+02 6.834725749e+02 1.473382763e+02 3.945350135e+02 6.444163978e+02 2.158534741e+02 3.097683718e+02 1.10 6.466614850e+02 4.754876142e+02 6.229047086e+02 6.466552443e+02 6.466490035e+02 1.387183893e+02 3.703940732e+02 6.088197002e+02 2.017619260e+02 2.916054166e+02 1.12 6.116581496e+02 4.452546319e+02 5.872799479e+02 6.116517560e+02 6.116453624e+02 1.305417216e+02 3.476019401e+02 5.750235473e+02 1.884983463e+02 2.744125543e+02 1.14 5.783894437e+02 4.167624588e+02 5.535214756e+02 5.783828941e+02 5.783763445e+02 1.227868020e+02 3.260867473e+02 5.429416200e+02 1.760164051e+02 2.581402999e+02 1.16 5.467739174e+02 3.899164327e+02 5.215364608e+02 5.467672085e+02 5.467604997e+02 1.154331733e+02 3.057803551e+02 5.124915896e+02 1.642723027e+02 2.427416352e+02 1.18 5.167338071e+02 3.646268491e+02 4.912365344e+02 5.167269359e+02 5.167200646e+02 1.084613446e+02 2.866181599e+02 4.835949383e+02 1.532246330e+02 2.281718863e+02 1.20 4.881948740e+02 3.408087089e+02 4.625375797e+02 4.881878371e+02 4.881808002e+02 1.018527451e+02 2.685389147e+02 4.561767871e+02 1.428342543e+02 2.143886090e+02 1.22 4.610862480e+02 3.183814775e+02 4.353595327e+02 4.610790422e+02 4.610718363e+02 9.558968133e+01 2.514845571e+02 4.301657321e+02 1.330641670e+02 2.013514783e+02 1.24 4.353402789e+02 2.972688575e+02 4.096261921e+02 4.353329008e+02 4.353255227e+02 8.965529531e+01 2.354000464e+02 4.054936868e+02 1.238793981e+02 1.890221837e+02 1.26 4.108923944e+02 2.773985711e+02 3.852650368e+02 4.108848407e+02 4.108772870e+02 8.403352561e+01 2.202332096e+02 3.820957332e+02 1.152468915e+02 1.773643303e+02 1.28 3.876809638e+02 2.587021549e+02 3.622070538e+02 3.876732311e+02 3.876654984e+02 7.870906973e+01 2.059345944e+02 3.599099775e+02 1.071354046e+02 1.663433440e+02 1.30 3.656471675e+02 2.411147639e+02 3.403865719e+02 3.656392524e+02 3.656313374e+02 7.366734854e+01 1.924573300e+02 3.388774138e+02 9.951540993e+01 1.559263813e+02 1.32 3.447348728e+02 2.245749861e+02 3.197411048e+02 3.447267720e+02 3.447186712e+02 6.889447232e+01 1.797569947e+02 3.189417928e+02 9.235900255e+01 1.460822444e+02 1.34 3.248905146e+02 2.090246657e+02 3.002112003e+02 3.248822245e+02 3.248739345e+02 6.437720851e+01 1.677914904e+02 3.000494969e+02 8.563981225e+01 1.367812995e+02 1.36 3.060629809e+02 1.944087357e+02 2.817402973e+02 3.060544982e+02 3.060460155e+02 6.010295090e+01 1.565209237e+02 2.821494205e+02 7.933292044e+01 1.279953995e+02 1.38 2.882035045e+02 1.806750590e+02 2.642745887e+02 2.881948256e+02 2.881861467e+02 5.605969042e+01 1.459074924e+02 2.651928561e+02 7.341478147e+01 1.196978105e+02 1.40 2.712655579e+02 1.677742771e+02 2.477628912e+02 2.712566794e+02 2.712478009e+02 5.223598720e+01 1.359153780e+02 2.491333847e+02 6.786314832e+01 1.118631424e+02 1.42 2.552047541e+02 1.556596663e+02 2.321565211e+02 2.551956725e+02 2.551865908e+02 4.862094404e+01 1.265106443e+02 2.339267720e+02 6.265700212e+01 1.044672815e+02 1.44 2.399787508e+02 1.442870022e+02 2.174091753e+02 2.399694626e+02 2.399601743e+02 4.520418108e+01 1.176611400e+02 2.195308681e+02 5.777648561e+01 9.748732806e+01 1.46 2.255471592e+02 1.336144296e+02 2.034768186e+02 2.255376608e+02 2.255281624e+02 4.197581175e+01 1.093364071e+02 2.059055131e+02 5.320284005e+01 9.090153606e+01 1.48 2.118714568e+02 1.236023401e+02 1.903175757e+02 2.118617447e+02 2.118520327e+02 3.892641974e+01 1.015075938e+02 1.930124455e+02 4.891834566e+01 8.468925581e+01 1.50 1.989149036e+02 1.142132553e+02 1.778916284e+02 1.989049744e+02 1.988950452e+02 3.604703722e+01 9.414737136e+01 1.808152157e+02 4.490626513e+01 7.883087986e+01 1.52 1.866424627e+02 1.054117162e+02 1.661611176e+02 1.866323129e+02 1.866221631e+02 3.332912391e+01 8.722985585e+01 1.692791027e+02 4.115079027e+01 7.330779124e+01 1.54 1.750207236e+02 9.716417803e+01 1.550900499e+02 1.750103497e+02 1.749999758e+02 3.076454728e+01 8.073053345e+01 1.583710349e+02 3.763699149e+01 6.810231436e+01 1.56 1.640178293e+02 8.943891051e+01 1.446442084e+02 1.640072278e+02 1.639966264e+02 2.834556363e+01 7.462618967e+01 1.480595145e+02 3.435077001e+01 6.319766834e+01 1.58 1.536034064e+02 8.220590319e+01 1.347910680e+02 1.535925740e+02 1.535817415e+02 2.606480003e+01 6.889484217e+01 1.383145451e+02 3.127881266e+01 5.857792258e+01 1.60 1.437484985e+02 7.543677552e+01 1.254997142e+02 1.437374317e+02 1.437263648e+02 2.391523716e+01 6.351567705e+01 1.291075623e+02 2.840854909e+01 5.422795456e+01 1.62 1.344255023e+02 6.910469163e+01 1.167407659e+02 1.344141977e+02 1.344028931e+02 2.189019298e+01 5.846898827e+01 1.204113680e+02 2.572811131e+01 5.013340969e+01 1.64 1.256081063e+02 6.318427928e+01 1.084863019e+02 1.255965607e+02 1.255850151e+02 1.998330750e+01 5.373612029e+01 1.122000673e+02 2.322629539e+01 4.628066313e+01 1.66 1.172712332e+02 5.765155312e+01 1.007097910e+02 1.172594432e+02 1.172476533e+02 1.818852606e+01 4.929941356e+01 1.044490082e+02 2.089252528e+01 4.265678354e+01 1.68 1.093909831e+02 5.248384177e+01 9.338602490e+01 1.093789457e+02 1.093669082e+02 1.650008787e+01 4.514215279e+01 9.713472428e+01 1.871681850e+01 3.924949858e+01 1.70 1.019445812e+02 4.765971861e+01 8.649105440e+01 1.019322930e+02 1.019200048e+02 1.491251104e+01 4.124851792e+01 9.023487955e+01 1.668975374e+01 3.604716208e+01 1.72 9.491032590e+01 4.315893619e+01 8.000212905e+01 9.489778397e+01 9.488524204e+01 1.342057973e+01 3.760353752e+01 8.372821617e+01 1.480244022e+01 3.303872290e+01 1.74 8.826754084e+01 3.896236397e+01 7.389763903e+01 8.825474216e+01 8.824194348e+01 1.201933208e+01 3.419304465e+01 7.759450433e+01 1.304648863e+01 3.021369525e+01 1.76 8.199652786e+01 3.505192919e+01 6.815706012e+01 8.198346953e+01 8.197041121e+01 1.070404848e+01 3.100363488e+01 7.181449450e+01 1.141398377e+01 2.756213052e+01 1.78 7.607852268e+01 3.141056089e+01 6.276090115e+01 7.606520192e+01 7.605188115e+01 9.470240428e+00 2.802262659e+01 6.636987174e+01 9.897458516e+00 2.507459049e+01 1.80 7.049565233e+01 2.802213675e+01 5.769065392e+01 7.048206643e+01 7.046848052e+01 8.313639954e+00 2.523802319e+01 6.124321210e+01 8.489869329e+00 2.274212184e+01 1.82 6.523089441e+01 2.487143263e+01 5.292874552e+01 6.521704081e+01 6.520318721e+01 7.230189491e+00 2.263847729e+01 5.641794110e+01 7.184572997e+00 2.055623196e+01 1.84 6.026803836e+01 2.194407475e+01 4.845849291e+01 6.025391462e+01 6.023979089e+01 6.216032261e+00 2.021325681e+01 5.187829392e+01 5.975304688e+00 1.850886589e+01 1.86 5.559164822e+01 1.922649440e+01 4.426405957e+01 5.557725206e+01 5.556285590e+01 5.267503109e+00 1.795221268e+01 4.760927756e+01 4.856157174e+00 1.659238445e+01 1.88 5.118702720e+01 1.670588485e+01 4.033041431e+01 5.117235648e+01 5.115768577e+01 4.381119783e+00 1.584574830e+01 4.359663460e+01 3.821561180e+00 1.479954346e+01 1.90 4.704018375e+01 1.437016061e+01 3.664329195e+01 4.702523652e+01 4.701028929e+01 3.553574632e+00 1.388479058e+01 3.982680868e+01 2.866266806e+00 1.312347390e+01 1.92 4.313779918e+01 1.220791874e+01 3.318915589e+01 4.312257366e+01 4.310734813e+01 2.781726709e+00 1.206076233e+01 3.628691152e+01 1.985327988e+00 1.155766315e+01 1.94 3.946719668e+01 1.020840220e+01 2.995516247e+01 3.945169129e+01 3.943618590e+01 2.062627370e+00 1.036555629e+01 3.296469147e+01 1.174349356e+00 1.009593710e+01 1.96 3.601631177e+01 8.361465063e+00 2.692912700e+01 3.600052515e+01 3.598473853e+01 1.398358402e+00 8.791510288e+00 2.984850344e+01 4.296124710e-01 8.732443174e+00 1.98 3.277366402e+01 6.657539588e+00 2.409949143e+01 3.275759505e+01 3.274152608e+01 7.995199765e-01 7.331383796e+00 2.692728027e+01 -2.550766325e-01 7.461634141e+00 2.00 2.972833010e+01 5.087604954e+00 2.145529354e+01 2.971197790e+01 2.969562570e+01 2.233048724e-01 5.978335673e+00 2.419050540e+01 -8.821049135e-01 6.278252791e+00 2.02 2.686991794e+01 3.643157669e+00 1.898613761e+01 2.685328190e+01 2.683664586e+01 -3.134994718e-01 4.725903041e+00 2.162818672e+01 -1.455747867e+00 5.177317327e+00 2.04 2.418854213e+01 2.316183496e+00 1.668216647e+01 2.417162193e+01 2.415470173e+01 -8.103510723e-01 3.567981256e+00 1.923083170e+01 -1.979667571e+00 4.154107492e+00 2.06 2.167480041e+01 1.099130864e+00 1.453403493e+01 2.165759604e+01 2.164039167e+01 -1.269397920e+00 2.498804919e+00 1.698942363e+01 -2.456708946e+00 3.204151385e+00 2.08 1.931975118e+01 -1.511434047e-02 1.253288443e+01 1.930226296e+01 1.928477473e+01 -1.692673310e+00 1.512929868e+00 1.489539897e+01 -2.889436862e+00 2.323212916e+00 2.10 1.711489204e+01 -1.033252654e+00 1.067031893e+01 1.709712063e+01 1.707934921e+01 -2.082100493e+00 6.052160950e-01 1.294062569e+01 -3.276781909e+00 1.507279902e+00 2.12 1.505213929e+01 -1.961593663e+00 8.938381973e+00 1.503408573e+01 1.501603218e+01 -2.439497063e+00 -2.291884405e-01 1.111738267e+01 -3.626598387e+00 7.525527331e-01 2.14 1.312380838e+01 -2.806077435e+00 7.329534781e+00 1.310547413e+01 1.308713988e+01 -2.766579079e+00 -9.948631707e-01 9.418340021e+00 -3.945324076e+00 5.543385056e-02 2.16 1.132259522e+01 -3.572286059e+00 5.836635497e+00 1.130398215e+01 1.128536907e+01 -3.064964943e+00 -1.696129475e+00 7.836540305e+00 -4.230768354e+00 -5.871368918e-01 2.18 9.641558312e+00 -4.265423459e+00 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