# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Setyawan-W-Gao-N-Kurtz-R-J--W-Re # implementation = 2018--Setyawan-W--W-Re--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 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 1.098722606e+03 nan 0.72 nan nan nan nan nan nan nan nan 9.925827874e+02 nan 0.74 nan nan nan nan nan nan nan nan 8.975246651e+02 nan 0.76 nan nan nan nan nan 6.814200686e+02 nan nan 8.126817822e+02 nan 0.78 nan nan nan nan nan 6.149647514e+02 nan nan 7.368225216e+02 nan 0.80 nan nan nan nan nan 5.555440180e+02 nan nan 6.686492029e+02 nan 0.82 nan nan nan nan nan 5.020618665e+02 nan nan 6.069833146e+02 nan 0.84 nan nan nan nan nan 4.532445963e+02 nan nan 5.513591107e+02 nan 0.86 nan nan nan 1.123973477e+03 1.123730935e+03 4.082790162e+02 nan nan 5.005383481e+02 7.334979815e+02 0.88 nan 6.714254353e+02 nan 1.035418303e+03 1.035621583e+03 3.671048580e+02 nan nan 4.537751770e+02 6.712650578e+02 0.90 nan 6.143494351e+02 nan 9.546040457e+02 9.548780031e+02 3.296581056e+02 6.247462285e+02 nan 4.109408777e+02 6.154524274e+02 0.92 nan 5.617304739e+02 nan 8.804677407e+02 8.807812729e+02 2.956183990e+02 5.725073490e+02 nan 3.717870713e+02 5.640911869e+02 0.94 nan 5.134944744e+02 nan 8.123789378e+02 8.127325626e+02 2.665142682e+02 5.251537934e+02 nan 3.358188412e+02 5.168989524e+02 0.96 nan 4.694445503e+02 nan 7.494343518e+02 7.497495161e+02 2.416812086e+02 4.816333062e+02 nan 3.026574578e+02 4.734529704e+02 0.98 6.911622036e+02 4.294202081e+02 6.181244093e+02 6.912943858e+02 6.915620071e+02 2.198799459e+02 4.414418912e+02 6.394902660e+02 2.733489771e+02 4.330049162e+02 1.00 6.378493950e+02 3.929342225e+02 5.691323265e+02 6.381919804e+02 6.383018818e+02 2.004891378e+02 4.040134360e+02 5.900670469e+02 2.481632985e+02 3.954273349e+02 1.02 5.897368213e+02 3.592241083e+02 5.239716444e+02 5.898460286e+02 5.896614424e+02 1.830584755e+02 3.690356406e+02 5.448045182e+02 2.262127147e+02 3.606751002e+02 1.04 5.453570504e+02 3.279968899e+02 4.830480514e+02 5.451629913e+02 5.448498952e+02 1.674163490e+02 3.365885301e+02 5.028909934e+02 2.067841731e+02 3.284410958e+02 1.06 5.042057055e+02 2.990953671e+02 4.458775138e+02 5.037919672e+02 5.033988781e+02 1.535621373e+02 3.066938139e+02 4.641367603e+02 1.893383365e+02 2.985229630e+02 1.08 4.660502290e+02 2.730262917e+02 4.116311968e+02 4.655031009e+02 4.649959052e+02 1.411435314e+02 2.795060880e+02 4.282985896e+02 1.736456415e+02 2.721648052e+02 1.10 4.308283265e+02 2.496499439e+02 3.797852099e+02 4.301046200e+02 4.295288215e+02 1.298282088e+02 2.555562074e+02 3.948977205e+02 1.595918671e+02 2.493209027e+02 1.12 3.979016755e+02 2.285400966e+02 3.499455229e+02 3.973049181e+02 3.968894188e+02 1.194145131e+02 2.343294666e+02 3.636743340e+02 1.468370532e+02 2.289951490e+02 1.14 3.669013334e+02 2.096002425e+02 3.219479585e+02 3.667197369e+02 3.666124139e+02 1.097767199e+02 2.154381323e+02 3.345085388e+02 1.352014788e+02 2.106498341e+02 1.16 3.377346979e+02 1.928042412e+02 2.958327327e+02 3.380141315e+02 3.382114342e+02 1.009851197e+02 1.986170272e+02 3.071944486e+02 1.245535531e+02 1.939670218e+02 1.18 3.106484310e+02 1.779665335e+02 2.719579097e+02 3.112155253e+02 3.116332184e+02 9.290182829e+01 1.834434598e+02 2.821073957e+02 1.148031667e+02 1.790420995e+02 1.20 2.859713337e+02 1.647045377e+02 2.503256300e+02 2.865822660e+02 2.870615192e+02 8.539954290e+01 1.696175830e+02 2.598212682e+02 1.059720318e+02 1.659210999e+02 1.22 2.638088775e+02 1.527499166e+02 2.308068117e+02 2.643793858e+02 2.648651786e+02 7.845462761e+01 1.571029316e+02 2.398307343e+02 9.793241316e+01 1.539528979e+02 1.24 2.438287110e+02 1.419466798e+02 2.133501181e+02 2.443192504e+02 2.447782650e+02 7.212051892e+01 1.456681164e+02 2.218489568e+02 9.048864685e+01 1.428659469e+02 1.26 2.258436524e+02 1.320898969e+02 1.976983761e+02 2.261783025e+02 2.265523326e+02 6.643989313e+01 1.352250714e+02 2.056423426e+02 8.359275789e+01 1.326585825e+02 1.28 2.095300328e+02 1.230057808e+02 1.835452887e+02 2.097213410e+02 2.099795828e+02 6.131069559e+01 1.257691144e+02 1.910337933e+02 7.720446984e+01 1.232747944e+02 1.30 1.947377575e+02 1.146270219e+02 1.705977593e+02 1.947967651e+02 1.949205587e+02 5.659470017e+01 1.170465044e+02 1.779098600e+02 7.128692299e+01 1.146134216e+02 1.32 1.814767814e+02 1.069432436e+02 1.588120137e+02 1.813424102e+02 1.812894539e+02 5.222070321e+01 1.088932971e+02 1.660189292e+02 6.579869571e+01 1.066016679e+02 1.34 1.695912199e+02 9.981235395e+01 1.480582899e+02 1.692095150e+02 1.689422533e+02 4.812218237e+01 1.012595723e+02 1.551368197e+02 6.067534641e+01 9.916149947e+01 1.36 1.586533170e+02 9.304745018e+01 1.381425115e+02 1.581077198e+02 1.576670480e+02 4.427763759e+01 9.412883645e+01 1.450525475e+02 5.594759160e+01 9.214875415e+01 1.38 1.484414780e+02 8.660742266e+01 1.292351194e+02 1.479279096e+02 1.474533040e+02 4.083291501e+01 8.750628933e+01 1.356450670e+02 5.163708338e+01 8.554203306e+01 1.40 1.389324296e+02 8.057602795e+01 1.213466794e+02 1.386043450e+02 1.382274616e+02 3.783492261e+01 8.135501253e+01 1.268781874e+02 4.766432360e+01 7.935542265e+01 1.42 1.300954616e+02 7.503260770e+01 1.140756755e+02 1.299538804e+02 1.297124688e+02 3.511383418e+01 7.559003604e+01 1.186540823e+02 4.397141906e+01 7.358180278e+01 1.44 1.218275266e+02 6.987806447e+01 1.071911889e+02 1.218436702e+02 1.217365004e+02 3.257308309e+01 7.017850466e+01 1.108930222e+02 4.051443144e+01 6.825667676e+01 1.46 1.140375696e+02 6.499555479e+01 1.006283038e+02 1.141778841e+02 1.141969776e+02 3.018643255e+01 6.514713373e+01 1.036041834e+02 3.728995346e+01 6.338646848e+01 1.48 1.066433971e+02 6.040891035e+01 9.439906302e+01 1.068996414e+02 1.070428021e+02 2.795609248e+01 6.050751419e+01 9.682451095e+01 3.430818149e+01 5.886703999e+01 1.50 9.965100984e+01 5.609097738e+01 8.852280513e+01 9.999799906e+01 1.002619182e+02 2.589381810e+01 5.623810120e+01 9.059306633e+01 3.152672620e+01 5.465284692e+01 1.52 9.329307407e+01 5.200829496e+01 8.294651218e+01 9.365703791e+01 9.400682402e+01 2.394930617e+01 5.229338319e+01 8.498888547e+01 2.890011466e+01 5.080106543e+01 1.54 8.763985282e+01 4.818376375e+01 7.761792450e+01 8.796043266e+01 8.833324532e+01 2.208260193e+01 4.861466152e+01 7.985797977e+01 2.639585252e+01 4.731303451e+01 1.56 8.247517954e+01 4.459752231e+01 7.250969133e+01 8.271815498e+01 8.305773879e+01 2.027176653e+01 4.515481978e+01 7.503517517e+01 2.399466468e+01 4.408952559e+01 1.58 7.761670389e+01 4.120476316e+01 6.763629660e+01 7.775290959e+01 7.801467803e+01 1.851871766e+01 4.189938416e+01 7.047250635e+01 2.169929451e+01 4.104515549e+01 1.60 7.302158203e+01 3.795930133e+01 6.305006818e+01 7.305502288e+01 7.321513438e+01 1.689108891e+01 3.883363991e+01 6.616659166e+01 1.953802281e+01 3.815247159e+01 1.62 6.867219086e+01 3.484570271e+01 5.880809672e+01 6.862285839e+01 6.867947972e+01 1.547234148e+01 3.596823173e+01 6.210116271e+01 1.754843211e+01 3.540277104e+01 1.64 6.455579376e+01 3.185115048e+01 5.489284149e+01 6.445113270e+01 6.441686634e+01 1.425458837e+01 3.328962243e+01 5.824467975e+01 1.572870776e+01 3.279135842e+01 1.66 6.065011592e+01 2.899678678e+01 5.119710000e+01 6.051828037e+01 6.040738074e+01 1.313636804e+01 3.074615249e+01 5.457241135e+01 1.403141383e+01 3.029933617e+01 1.68 5.694254323e+01 2.629745446e+01 4.767784873e+01 5.680211706e+01 5.662656035e+01 1.207146075e+01 2.830748893e+01 5.106641262e+01 1.241911589e+01 2.791887788e+01 1.70 5.341726533e+01 2.374745260e+01 4.432569283e+01 5.327691781e+01 5.305133550e+01 1.104998167e+01 2.595555102e+01 4.771812970e+01 1.088466435e+01 2.564916671e+01 1.72 5.006015691e+01 2.133899110e+01 4.113484963e+01 4.990710334e+01 4.965056943e+01 1.006895192e+01 2.367378838e+01 4.451577996e+01 9.427175197e+00 2.349173710e+01 1.74 4.682929314e+01 1.906016404e+01 3.808912072e+01 4.666604385e+01 4.640551534e+01 9.119876659e+00 2.145353090e+01 4.144622286e+01 8.061385290e+00 2.141184318e+01 1.76 4.370705427e+01 1.690863739e+01 3.520893142e+01 4.355227460e+01 4.331732111e+01 8.205550426e+00 1.930879629e+01 3.851170480e+01 6.824859799e+00 1.938552739e+01 1.78 4.069874369e+01 1.487803746e+01 3.250526619e+01 4.056087195e+01 4.036646818e+01 7.337606199e+00 1.725610337e+01 3.570290865e+01 5.745077007e+00 1.741261867e+01 1.80 3.781287549e+01 1.295248326e+01 2.997634149e+01 3.769079635e+01 3.754331548e+01 6.522104597e+00 1.533991858e+01 3.299251689e+01 4.782283438e+00 1.550382907e+01 1.82 3.504861300e+01 1.115243644e+01 2.762447767e+01 3.493301954e+01 3.483299881e+01 5.765258213e+00 1.359169808e+01 3.036262092e+01 3.885425710e+00 1.367789747e+01 1.84 3.237079899e+01 9.473570532e+00 2.540587760e+01 3.227022388e+01 3.222090376e+01 5.046871330e+00 1.196605155e+01 2.779874692e+01 3.029646090e+00 1.194201610e+01 1.86 2.978628036e+01 7.917207101e+00 2.329549513e+01 2.971961509e+01 2.972356130e+01 4.362065537e+00 1.041655871e+01 2.532848334e+01 2.210952662e+00 1.036322668e+01 1.88 2.731946317e+01 6.485940979e+00 2.127938307e+01 2.730856254e+01 2.736430231e+01 3.713463633e+00 8.935160293e+00 2.298140452e+01 1.438850417e+00 8.992302234e+00 1.90 2.496205652e+01 5.177505700e+00 1.934018147e+01 2.501735968e+01 2.511797209e+01 3.102090716e+00 7.525164046e+00 2.075125477e+01 7.169462651e-01 7.777539520e+00 1.92 2.269687607e+01 3.989303484e+00 1.746872992e+01 2.280944539e+01 2.294351156e+01 2.532770805e+00 6.192605870e+00 1.862140192e+01 4.783323110e-02 6.650841827e+00 1.94 2.052397201e+01 2.907696953e+00 1.565127881e+01 2.067774764e+01 2.083428513e+01 1.992875486e+00 4.929411154e+00 1.658101127e+01 -5.683142536e-01 5.581584596e+00 1.96 1.844034055e+01 1.915901493e+00 1.386986663e+01 1.861943933e+01 1.879050719e+01 1.461741803e+00 3.734695673e+00 1.463819170e+01 -1.138230474e+00 4.555902718e+00 1.98 1.644109876e+01 1.007964997e+00 1.213148066e+01 1.663310250e+01 1.681263779e+01 9.374733212e-01 2.611362692e+00 1.282011554e+01 -1.670473553e+00 3.566177735e+00 2.00 1.452157742e+01 1.751716195e-01 1.044502659e+01 1.471872746e+01 1.490078706e+01 4.217305412e-01 1.558320522e+00 1.111753979e+01 -2.173929858e+00 2.605165369e+00 2.02 1.270120119e+01 -5.896337847e-01 8.829721293e+00 1.289665940e+01 1.307317520e+01 -7.584055560e-02 5.758186024e-01 9.536973636e+00 -2.649655808e+00 1.681063120e+00 2.04 1.102224585e+01 -1.300125650e+00 7.315924409e+00 1.120314135e+01 1.136387603e+01 -5.398223546e-01 -3.308645494e-01 8.087173115e+00 -3.090866879e+00 8.199685642e-01 2.06 9.496846353e+00 -1.974666575e+00 5.903843767e+00 9.642836776e+00 9.774721920e+00 -9.705149323e-01 -1.167293039e+00 6.754977110e+00 -3.504922074e+00 2.539193922e-02 2.08 8.094293332e+00 -2.622186282e+00 4.590656911e+00 8.194458797e+00 8.287890610e+00 -1.370366996e+00 -1.929295323e+00 5.520785180e+00 -3.894021820e+00 -7.021201727e-01 2.10 6.796901192e+00 -3.250169913e+00 3.379856710e+00 6.848896330e+00 6.900161451e+00 -1.741940879e+00 -2.602931097e+00 4.374298999e+00 -4.254858405e+00 -1.364108871e+00 2.12 5.595970568e+00 -3.856009750e+00 2.265074327e+00 5.600488662e+00 5.608903850e+00 -2.087960088e+00 -3.176629860e+00 3.307909015e+00 -4.581190211e+00 -1.968163307e+00 2.14 4.480699717e+00 -4.422228959e+00 1.229232076e+00 4.440109314e+00 4.406253537e+00 -2.409275597e+00 -3.663046092e+00 2.313945956e+00 -4.862901015e+00 -2.521060137e+00 2.16 3.440043929e+00 -4.929949824e+00 2.757795846e-01 3.362799020e+00 3.291322572e+00 -2.701570633e+00 -4.083674647e+00 1.386641005e+00 -5.094596252e+00 -3.028770204e+00 2.18 2.462943290e+00 -5.382239612e+00 -6.050517623e-01 2.358708033e+00 2.257405456e+00 -2.967264440e+00 -4.457913172e+00 5.216259819e-01 -5.286759756e+00 -3.497262672e+00 2.20 1.538938681e+00 -5.800594088e+00 -1.422980185e+00 1.417520402e+00 1.296875213e+00 -3.209269405e+00 -4.792010971e+00 -2.920651691e-01 -5.452377425e+00 -3.931089424e+00 2.22 6.649993338e-01 -6.201980510e+00 -2.181201170e+00 5.356261585e-01 4.062762434e-01 -3.427747034e+00 -5.090891370e+00 -1.058577275e+00 -5.597380227e+00 -4.324744579e+00 2.24 -1.612299790e-01 -6.585996245e+00 -2.881682198e+00 -2.902782930e-01 -4.193266071e-01 -3.624319581e+00 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