# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Chen-Y-Fang-J-Liu-L-et-al--W-Ta # implementation = 2019--Chen-Y--W-Ta--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 nan nan 0.72 nan nan nan nan nan nan nan nan 6.481233909e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.704847247e+03 nan 0.76 nan nan nan nan nan nan nan nan 5.039488508e+03 nan 0.78 nan nan nan nan nan 3.939256686e+03 nan nan 4.466518347e+03 nan 0.80 nan nan nan nan nan 3.514259950e+03 nan nan 3.970835947e+03 nan 0.82 nan nan nan nan nan 3.144269084e+03 nan nan 3.529194331e+03 nan 0.84 nan nan nan nan nan 2.819903445e+03 nan nan 3.128040611e+03 nan 0.86 nan nan nan nan nan 2.534442952e+03 nan nan 2.780226027e+03 nan 0.88 nan nan nan 6.433460184e+03 6.434344302e+03 2.282953411e+03 nan nan 2.477660489e+03 3.838228875e+03 0.90 nan 3.390199075e+03 nan 5.829051616e+03 5.830270369e+03 2.060632308e+03 3.475843452e+03 nan 2.213400646e+03 3.454740835e+03 0.92 nan 2.991926630e+03 nan 5.291639335e+03 5.292803997e+03 1.863519822e+03 3.126881387e+03 nan 1.982106774e+03 3.117623566e+03 0.94 nan 2.645806716e+03 nan 4.811658527e+03 4.812679748e+03 1.688514419e+03 2.819932767e+03 nan 1.778776051e+03 2.819295152e+03 0.96 nan 2.344818942e+03 nan 4.382041686e+03 4.382820396e+03 1.532556589e+03 2.533729377e+03 nan 1.599549274e+03 2.554404519e+03 0.98 nan 2.082805254e+03 nan 3.997035319e+03 3.997462379e+03 1.393020922e+03 2.279281782e+03 3.627438191e+03 1.441331907e+03 2.318408462e+03 1.00 3.651153373e+03 1.854010962e+03 3.089723366e+03 3.651267575e+03 3.651247900e+03 1.267744555e+03 2.053989950e+03 3.251161580e+03 1.301223242e+03 2.107320364e+03 1.02 3.245380112e+03 1.641882148e+03 2.742097613e+03 3.244855434e+03 3.244265401e+03 1.123160505e+03 1.822287156e+03 2.887076071e+03 1.152767116e+03 1.870573247e+03 1.04 2.888428543e+03 1.456310991e+03 2.437545621e+03 2.887497055e+03 2.886533597e+03 9.961272009e+02 1.619237581e+03 2.567310009e+03 1.022532182e+03 1.662463318e+03 1.06 2.574246549e+03 1.293692246e+03 2.171530819e+03 2.573391850e+03 2.572489396e+03 8.850451786e+02 1.441214442e+03 2.286226502e+03 9.081752019e+02 1.479588964e+03 1.08 2.297336635e+03 1.151327543e+03 1.937768360e+03 2.296689236e+03 2.296001037e+03 7.873007114e+02 1.284575252e+03 2.038762273e+03 8.076082246e+02 1.318804560e+03 1.10 2.052918755e+03 1.026396755e+03 1.731703367e+03 2.052548548e+03 2.052180023e+03 7.010468540e+02 1.146453836e+03 1.820604901e+03 7.190290479e+02 1.177106238e+03 1.12 1.836898585e+03 9.166064052e+02 1.549835082e+03 1.836893381e+03 1.836924924e+03 6.249088217e+02 1.024431615e+03 1.628350847e+03 6.409464929e+02 1.051916389e+03 1.14 1.645793064e+03 8.200674872e+02 1.389151399e+03 1.646172328e+03 1.646594691e+03 5.577106135e+02 9.165073308e+02 1.458675670e+03 5.720151055e+02 9.411770407e+02 1.16 1.477039738e+03 7.350377804e+02 1.246978922e+03 1.477685679e+03 1.478352154e+03 4.983611186e+02 8.209135947e+02 1.309320327e+03 5.109692341e+02 8.433209166e+02 1.18 1.328498923e+03 6.600283592e+02 1.120926345e+03 1.329168266e+03 1.329835257e+03 4.458351160e+02 7.361342125e+02 1.177148375e+03 4.568604411e+02 7.570217226e+02 1.20 1.196693577e+03 5.935637939e+02 1.008928270e+03 1.197291378e+03 1.197876180e+03 3.992390176e+02 6.609199370e+02 1.059900901e+03 4.088807722e+02 6.804365760e+02 1.22 1.079463600e+03 5.344555637e+02 9.092235650e+02 1.079945032e+03 1.080415650e+03 3.578127383e+02 5.941544062e+02 9.556727812e+02 3.662645985e+02 6.121821413e+02 1.24 9.750179763e+02 4.817213279e+02 8.207721088e+02 9.753917398e+02 9.757674571e+02 3.213471654e+02 5.349838978e+02 8.628676831e+02 3.285133406e+02 5.511787143e+02 1.26 8.818199203e+02 4.345343338e+02 7.418205346e+02 8.820616773e+02 8.823211054e+02 2.888268580e+02 4.822582447e+02 7.801284930e+02 2.948887922e+02 4.965761216e+02 1.28 7.985439312e+02 3.921832618e+02 6.711206040e+02 7.986221327e+02 7.987277646e+02 2.596493119e+02 4.351464890e+02 7.062707860e+02 2.647948234e+02 4.476642326e+02 1.30 7.240575693e+02 3.540710752e+02 6.077890189e+02 7.239593203e+02 7.238830170e+02 2.334575505e+02 3.929088181e+02 6.402118899e+02 2.378304687e+02 4.038526449e+02 1.32 6.573696145e+02 3.197165174e+02 5.510355837e+02 6.570919617e+02 6.568203125e+02 2.099368671e+02 3.549479498e+02 5.809747068e+02 2.136597924e+02 3.646202754e+02 1.34 5.975161678e+02 2.886788154e+02 5.001475284e+02 5.970934949e+02 5.966606531e+02 1.888292508e+02 3.207892664e+02 5.277154049e+02 1.920039920e+02 3.294427439e+02 1.36 5.436041827e+02 2.605922090e+02 4.545199911e+02 5.431250238e+02 5.426246991e+02 1.699216129e+02 2.900284018e+02 4.796998124e+02 1.728032723e+02 2.978246990e+02 1.38 4.948751005e+02 2.351971910e+02 4.136047616e+02 4.944525475e+02 4.940032294e+02 1.530089988e+02 2.625316048e+02 4.362388497e+02 1.555091639e+02 2.693474923e+02 1.40 4.507067490e+02 2.122845114e+02 3.767873246e+02 4.504185853e+02 4.501042982e+02 1.378346172e+02 2.377776165e+02 3.968378418e+02 1.399032680e+02 2.436591444e+02 1.42 4.106936804e+02 1.916268055e+02 3.434816559e+02 4.105669357e+02 4.104221583e+02 1.241432304e+02 2.153483189e+02 3.611629537e+02 1.257895452e+02 2.206294975e+02 1.44 3.745130287e+02 1.729717299e+02 3.132107401e+02 3.745394595e+02 3.745605908e+02 1.117298380e+02 1.950047382e+02 3.289302307e+02 1.130062999e+02 2.001505399e+02 1.46 3.416133602e+02 1.560872891e+02 2.856051876e+02 3.417713649e+02 3.419361285e+02 1.004574664e+02 1.765399914e+02 2.997203015e+02 1.014151991e+02 1.815875257e+02 1.48 3.117227203e+02 1.407668500e+02 2.603448591e+02 3.119788128e+02 3.122490368e+02 9.018037327e+01 1.597707506e+02 2.732670637e+02 9.091457851e+01 1.647583759e+02 1.50 2.846204768e+02 1.268290485e+02 2.371828299e+02 2.849301282e+02 2.852567494e+02 8.079417608e+01 1.445333224e+02 2.493199917e+02 8.138253417e+01 1.495073817e+02 1.52 2.600936855e+02 1.141186609e+02 2.159250698e+02 2.604084552e+02 2.607392155e+02 7.222451642e+01 1.306802544e+02 2.275904081e+02 7.271143089e+01 1.356879488e+02 1.54 2.378419086e+02 1.025122288e+02 1.964038464e+02 2.381247417e+02 2.384192219e+02 6.440473068e+01 1.180784200e+02 2.077989259e+02 6.481477686e+01 1.231298257e+02 1.56 2.175660949e+02 9.190119062e+01 1.784840513e+02 2.177943571e+02 2.180275227e+02 5.728619601e+01 1.066040409e+02 1.897033301e+02 5.762198291e+01 1.116736783e+02 1.58 1.990102863e+02 8.218960545e+01 1.620620928e+02 1.991729862e+02 1.993336709e+02 5.083930724e+01 9.614444313e+01 1.731193203e+02 5.108018620e+01 1.011811975e+02 1.60 1.819974602e+02 7.333424935e+01 1.470593858e+02 1.820890879e+02 1.821746542e+02 4.504573472e+01 8.660813845e+01 1.578898921e+02 4.514509882e+01 9.155056081e+01 1.62 1.663691936e+02 6.528576984e+01 1.333835104e+02 1.663907918e+02 1.664056969e+02 3.986402992e+01 7.807654810e+01 1.438712936e+02 3.976609974e+01 8.272387808e+01 1.64 1.519764625e+02 5.805588552e+01 1.209077669e+02 1.519354534e+02 1.518892418e+02 3.521647397e+01 7.027371829e+01 1.309447721e+02 3.496116774e+01 7.461821292e+01 1.66 1.386963581e+02 5.161618397e+01 1.095082846e+02 1.386033859e+02 1.385075673e+02 3.102801516e+01 6.311180052e+01 1.190071420e+02 3.060861222e+01 6.715674933e+01 1.68 1.264193117e+02 4.575099504e+01 9.908167581e+01 1.262883280e+02 1.261564400e+02 2.724172515e+01 5.653197436e+01 1.079670843e+02 2.663084821e+01 6.027072803e+01 1.70 1.150459377e+02 4.041973710e+01 8.954281872e+01 1.148929947e+02 1.147402403e+02 2.381960257e+01 5.048651423e+01 9.774692458e+01 2.300393240e+01 5.389785883e+01 1.72 1.044903665e+02 3.558619496e+01 8.080331424e+01 1.043303212e+02 1.041711886e+02 2.072201117e+01 4.493167508e+01 8.828038667e+01 1.971318113e+01 4.798881853e+01 1.74 9.468712911e+01 3.121522738e+01 7.290183196e+01 9.453303706e+01 9.438039586e+01 1.791417022e+01 3.983478843e+01 7.951918339e+01 1.674682007e+01 4.251680309e+01 1.76 8.558220786e+01 2.727097379e+01 6.580307827e+01 8.544532452e+01 8.531006261e+01 1.536819599e+01 3.517444287e+01 7.145809883e+01 1.409228593e+01 3.745871378e+01 1.78 7.713968752e+01 2.372029070e+01 5.930005158e+01 7.702842345e+01 7.691851899e+01 1.305872988e+01 3.093377499e+01 6.406938154e+01 1.171869983e+01 3.279559139e+01 1.80 6.936521526e+01 2.064567253e+01 5.333855850e+01 6.928463258e+01 6.920482912e+01 1.096361194e+01 2.709098034e+01 5.731319016e+01 9.591691377e+00 2.851883324e+01 1.82 6.223663906e+01 1.795459058e+01 4.787339935e+01 6.218912584e+01 6.214169025e+01 9.064874964e+00 2.360331626e+01 5.115238653e+01 7.677736739e+00 2.462887673e+01 1.84 5.573136600e+01 1.551951892e+01 4.286353010e+01 5.571610084e+01 5.570032563e+01 7.345871862e+00 2.042694497e+01 4.555653431e+01 5.951476559e+00 2.112982602e+01 1.86 4.982510655e+01 1.331740752e+01 3.827071559e+01 4.983814770e+01 4.985036812e+01 5.791167777e+00 1.752183720e+01 4.049072111e+01 4.394220579e+00 1.801730831e+01 1.88 4.447223018e+01 1.132425033e+01 3.406119077e+01 4.450787133e+01 4.454260040e+01 4.388381301e+00 1.486061598e+01 3.590782925e+01 2.989431446e+00 1.525274727e+01 1.90 3.962004782e+01 9.516256497e+00 3.020446111e+01 3.967199533e+01 3.972305967e+01 3.126810893e+00 1.246968809e+01 3.176048070e+01 1.722981287e+00 1.278999483e+01 1.92 3.521572715e+01 7.870729239e+00 2.667493543e+01 3.527850026e+01 3.534050607e+01 1.998165920e+00 1.029176506e+01 2.800373428e+01 5.836082007e-01 1.058228423e+01 1.94 3.121472535e+01 6.366584727e+00 2.344959875e+01 3.128378014e+01 3.135226373e+01 9.952032625e-01 8.293070098e+00 2.459914820e+01 -4.391453114e-01 8.595682964e+00 1.96 2.757992662e+01 4.984855162e+00 2.050723425e+01 2.765174646e+01 2.772325152e+01 1.114996895e-01 6.465623706e+00 2.175416987e+01 -1.354956383e+00 6.807914843e+00 1.98 2.427666281e+01 3.709283193e+00 1.782731421e+01 2.434877927e+01 2.442086755e+01 -6.596261328e-01 4.801337406e+00 1.915436047e+01 -2.171711604e+00 5.198179252e+00 2.00 2.127799288e+01 2.529247127e+00 1.538791102e+01 2.134825043e+01 2.141872924e+01 -1.327674681e+00 3.291986377e+00 1.677715440e+01 -2.896480984e+00 3.749616336e+00 2.02 1.890799176e+01 1.479449384e+00 1.339927449e+01 1.897449177e+01 1.904134679e+01 -1.786648690e+00 2.045551595e+00 1.472123892e+01 -3.449876064e+00 2.623147620e+00 2.04 1.672449511e+01 4.996088360e-01 1.156119183e+01 1.678554143e+01 1.684695940e+01 -2.186003549e+00 9.156944826e-01 1.283108537e+01 -3.943374277e+00 1.596971378e+00 2.06 1.471214068e+01 -4.158827066e-01 9.858262483e+00 1.476622583e+01 1.482061722e+01 -2.533054442e+00 -1.014905715e-01 1.109331274e+01 -4.380057577e+00 6.625939922e-01 2.08 1.285754588e+01 -1.267726618e+00 8.276811676e+00 1.290337242e+01 1.294939939e+01 -2.834499469e+00 -1.008356142e+00 9.495152787e+00 -4.760759623e+00 -1.872914603e-01 2.10 1.114823427e+01 -2.054558747e+00 6.805265819e+00 1.118465464e+01 1.122117136e+01 -3.096679439e+00 -1.807846876e+00 8.025517094e+00 -5.085761374e+00 -9.594277525e-01 2.12 9.573701301e+00 -2.774231390e+00 5.438046408e+00 9.599769427e+00 9.625868330e+00 -3.323978942e+00 -2.509672344e+00 6.673625803e+00 -5.354333625e+00 -1.659811378e+00 2.14 8.122895247e+00 -3.425921460e+00 4.170534679e+00 8.138312145e+00 8.153733885e+00 -3.519941203e+00 -3.125001500e+00 5.429000890e+00 -5.568045828e+00 -2.294468600e+00 2.16 6.785492549e+00 -4.018342057e+00 2.997903471e+00 6.790689242e+00 6.795885952e+00 -3.688054559e+00 -3.664634013e+00 4.282096570e+00 -5.733271161e+00 -2.867998603e+00 2.18 5.552134793e+00 -4.561336689e+00 1.915477493e+00 5.548167759e+00 5.544200724e+00 -3.831847244e+00 -4.138295408e+00 3.223489992e+00 -5.858073944e+00 -3.384144293e+00 2.20 4.413877754e+00 -5.063150561e+00 9.214948859e-01 4.402381141e+00 4.390884529e+00 -3.954803297e+00 -4.552457137e+00 2.244410555e+00 -5.950926294e+00 -3.846279052e+00 2.22 3.362424481e+00 -5.531315576e+00 1.494281829e-02 3.345282428e+00 3.328140376e+00 -4.060789866e+00 -4.914255362e+00 1.336798803e+00 -6.019203123e+00 -4.257443297e+00 2.24 2.390364500e+00 -5.969212574e+00 -8.057580919e-01 2.369268734e+00 2.348172969e+00 -4.153614200e+00 -5.231318695e+00 4.930718044e-01 -6.067867379e+00 -4.620313809e+00 2.26 1.490753529e+00 -6.376761266e+00 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