# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Hiremath-P-Melin-S-Bitzek-E-Olsson-P-A-T--W # implementation = 2022--Hiremath-P--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 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 nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan 2.382170094e+03 nan nan nan nan 0.84 nan nan nan nan nan 2.170423461e+03 nan nan nan nan 0.86 nan nan nan nan nan 1.979931031e+03 nan nan 2.279559695e+03 nan 0.88 nan nan nan nan nan 1.808289399e+03 nan nan 2.074631446e+03 nan 0.90 nan nan nan nan nan 1.653398066e+03 nan nan 1.889491690e+03 nan 0.92 nan nan nan nan nan 1.513417694e+03 nan nan 1.722353724e+03 nan 0.94 nan nan nan nan nan 1.386734394e+03 nan nan 1.571497922e+03 nan 0.96 nan 2.667535867e+03 nan nan nan 1.271929304e+03 2.350343372e+03 nan 1.435308749e+03 2.087690018e+03 0.98 nan 2.444645054e+03 nan nan nan 1.167752546e+03 2.153789900e+03 nan 1.312293813e+03 1.913022535e+03 1.00 nan 2.242536859e+03 nan nan nan 1.073100949e+03 1.975573982e+03 nan 1.201091035e+03 1.754306397e+03 1.02 nan 2.059035654e+03 nan nan nan 9.869990166e+02 1.813707375e+03 nan 1.100468099e+03 1.610130887e+03 1.04 nan 1.892048455e+03 2.671285873e+03 nan nan 9.085825395e+02 1.663871959e+03 nan 1.008947341e+03 1.479153529e+03 1.06 2.706902264e+03 1.735345186e+03 2.464592941e+03 2.706900245e+03 2.706898226e+03 8.370845493e+02 1.524963318e+03 2.492496233e+03 9.231732512e+02 1.360119279e+03 1.08 2.502440732e+03 1.587741597e+03 2.275765350e+03 2.502438649e+03 2.502436566e+03 7.718232203e+02 1.396987330e+03 2.302553353e+03 8.430966361e+02 1.251869865e+03 1.10 2.315278782e+03 1.450265268e+03 2.103055915e+03 2.315276633e+03 2.315274485e+03 7.121914054e+02 1.279630765e+03 2.128795510e+03 7.690311539e+02 1.153346430e+03 1.12 2.143772090e+03 1.323302854e+03 1.941710636e+03 2.143769873e+03 2.143767657e+03 6.576476103e+02 1.172378720e+03 1.969674614e+03 7.010044170e+02 1.063587855e+03 1.14 1.986449402e+03 1.206569474e+03 1.789599420e+03 1.986447116e+03 1.986444830e+03 6.077081597e+02 1.074598329e+03 1.823806297e+03 6.388529103e+02 9.817263333e+02 1.16 1.841992760e+03 1.095740094e+03 1.647430696e+03 1.841990402e+03 1.841988044e+03 5.619403855e+02 9.855980005e+02 1.689951192e+03 5.822914930e+02 9.069813408e+02 1.18 1.709220161e+03 9.907100070e+02 1.515435606e+03 1.709217729e+03 1.709215297e+03 5.199567117e+02 9.046685339e+02 1.566998515e+03 5.309634315e+02 8.386528219e+02 1.20 1.587070279e+03 8.927223618e+02 1.393511283e+03 1.587067772e+03 1.587065264e+03 4.814094705e+02 8.310737649e+02 1.453951572e+03 4.844758746e+02 7.761140855e+02 1.22 1.474589024e+03 8.023931296e+02 1.281328591e+03 1.474586439e+03 1.474583853e+03 4.459863370e+02 7.629797997e+02 1.349914358e+03 4.424245322e+02 7.188047846e+02 1.24 1.370917719e+03 7.198975633e+02 1.178412252e+03 1.370915054e+03 1.370912388e+03 4.134063696e+02 6.997307279e+02 1.253294716e+03 4.044103958e+02 6.662242056e+02 1.26 1.275282960e+03 6.451087283e+02 1.084199996e+03 1.275280213e+03 1.275277465e+03 3.834166572e+02 6.413045084e+02 1.158735636e+03 3.700507044e+02 6.179251253e+02 1.28 1.185314895e+03 5.774912950e+02 9.969703596e+02 1.185312063e+03 1.185309231e+03 3.552317787e+02 5.870058574e+02 1.066371745e+03 3.385674930e+02 5.726717672e+02 1.30 1.094125269e+03 5.158129219e+02 9.119306761e+02 1.094122350e+03 1.094119431e+03 3.265598505e+02 5.345349876e+02 9.754527979e+02 3.080627966e+02 5.269776232e+02 1.32 1.003513986e+03 4.598508429e+02 8.300475278e+02 1.003510978e+03 1.003507970e+03 2.980047460e+02 4.844215817e+02 8.876109224e+02 2.788236420e+02 4.817075836e+02 1.34 9.155626003e+02 4.093809959e+02 7.524609914e+02 9.155595005e+02 9.155564006e+02 2.702639553e+02 4.372461888e+02 8.041843609e+02 2.512221175e+02 4.378736134e+02 1.36 8.316762766e+02 3.640862821e+02 6.798588971e+02 8.316730828e+02 8.316698889e+02 2.438092666e+02 3.933382067e+02 7.259972592e+02 2.254764170e+02 3.961547709e+02 1.38 7.527449828e+02 3.235958057e+02 6.125930265e+02 7.527416925e+02 7.527384021e+02 2.189405204e+02 3.528421448e+02 6.534906053e+02 2.016909227e+02 3.569769521e+02 1.40 6.792717332e+02 2.875133793e+02 5.507702323e+02 6.792683438e+02 6.792649544e+02 1.958283795e+02 3.157692864e+02 5.868245602e+02 1.798875562e+02 3.205762716e+02 1.42 6.114731875e+02 2.554377181e+02 4.943228492e+02 6.114696964e+02 6.114662054e+02 1.745478810e+02 2.820374025e+02 5.259578356e+02 1.600298917e+02 2.870487245e+02 1.44 5.493580010e+02 2.269763377e+02 4.430626281e+02 5.493544058e+02 5.493508105e+02 1.551045696e+02 2.515010042e+02 4.707086948e+02 1.420415625e+02 2.563888170e+02 1.46 4.927875005e+02 2.017547479e+02 3.967217297e+02 4.927837983e+02 4.927800962e+02 1.374547376e+02 2.239741903e+02 4.208015427e+02 1.258202313e+02 2.285194463e+02 1.48 4.415223967e+02 1.794221695e+02 3.549836091e+02 4.415185849e+02 4.415147731e+02 1.215210078e+02 1.992477317e+02 3.759021454e+02 1.112480761e+02 2.033148722e+02 1.50 3.952583619e+02 1.596546963e+02 3.175059490e+02 3.952544377e+02 3.952505136e+02 1.072042041e+02 1.771016442e+02 3.356439328e+02 9.819953791e+01 1.806181873e+02 1.52 3.536528725e+02 1.421566262e+02 2.839374390e+02 3.536488332e+02 3.536447939e+02 9.439230823e+01 1.573142839e+02 2.996473501e+02 8.654695697e+01 1.602544747e+02 1.54 3.163451870e+02 1.266605033e+02 2.539297929e+02 3.163410297e+02 3.163368724e+02 8.296712745e+01 1.396687669e+02 2.675338110e+02 7.616454609e+01 1.420405806e+02 1.56 2.829709474e+02 1.129262793e+02 2.271461011e+02 2.829666692e+02 2.829623911e+02 7.280916870e+01 1.239573291e+02 2.389354878e+02 6.693109476e+01 1.257922395e+02 1.58 2.531726134e+02 1.007398992e+02 2.032663936e+02 2.531682115e+02 2.531638096e+02 6.380112312e+01 1.099840807e+02 2.135019153e+02 5.873179885e+01 1.113291477e+02 1.60 2.266066761e+02 8.991153811e+01 1.819910972e+02 2.266021476e+02 2.265976190e+02 5.583027620e+01 9.756663427e+01 1.909041782e+02 5.145938817e+01 9.847845445e+01 1.62 2.029484097e+02 8.027365532e+01 1.630429242e+02 2.029437514e+02 2.029390931e+02 4.879009736e+01 8.653693765e+01 1.708372867e+02 4.501472016e+01 8.707701140e+01 1.64 1.818947453e+02 7.167898223e+01 1.461676040e+02 1.818899544e+02 1.818851634e+02 4.258120499e+01 7.674147698e+01 1.530212029e+02 3.930698102e+01 7.697263646e+01 1.66 1.631657615e+02 6.399852721e+01 1.311337877e+02 1.631608348e+02 1.631559082e+02 3.711186689e+01 6.804103322e+01 1.372009121e+02 3.425360819e+01 6.802479910e+01 1.68 1.465051499e+02 5.711965337e+01 1.177323725e+02 1.465000845e+02 1.464950191e+02 3.229815830e+01 6.031013085e+01 1.231458061e+02 2.978001857e+01 6.010484656e+01 1.70 1.316799339e+02 5.094426475e+01 1.057754316e+02 1.316747267e+02 1.316695195e+02 2.806387031e+01 5.343628161e+01 1.106486044e+02 2.581920556e+01 5.309585716e+01 1.72 1.184796750e+02 4.538712369e+01 9.509490192e+01 1.184743228e+02 1.184689707e+02 2.434024784e+01 4.731911016e+01 9.952396794e+01 2.231125755e+01 4.689223834e+01 1.74 1.067153276e+02 4.037430831e+01 8.554113191e+01 1.067098274e+02 1.067043272e+02 2.106561015e+01 4.186941478e+01 8.960694321e+01 1.920283150e+01 4.139914918e+01 1.76 9.621787397e+01 3.584181303e+01 7.698136744e+01 9.621222264e+01 9.620657131e+01 1.818489798e+01 3.700820955e+01 8.075131584e+01 1.644660893e+01 3.653181305e+01 1.78 8.683684476e+01 3.173429122e+01 6.929824121e+01 8.683103915e+01 8.682523353e+01 1.564918260e+01 3.266577968e+01 7.282795659e+01 1.400075568e+01 3.221477378e+01 1.80 7.843878635e+01 2.800393222e+01 6.238829665e+01 7.843282333e+01 7.842686031e+01 1.341515702e+01 2.878076883e+01 6.572319320e+01 1.182839585e+01 2.838112529e+01 1.82 7.090573555e+01 2.460946555e+01 5.616058001e+01 7.089961199e+01 7.089348844e+01 1.144462953e+01 2.529930512e+01 5.933725345e+01 9.897111215e+00 2.497174521e+01 1.84 6.413373954e+01 2.151528249e+01 5.053531819e+01 6.412745234e+01 6.412116514e+01 9.704032360e+00 2.217409304e+01 5.358279383e+01 8.178471077e+00 2.193455150e+01 1.86 5.803143927e+01 1.869063669e+01 4.544268786e+01 5.802498532e+01 5.801853138e+01 8.163951397e+00 1.936359467e+01 4.838353003e+01 6.647552861e+00 1.922379087e+01 1.88 5.251874124e+01 1.610878054e+01 4.082168616e+01 5.251211747e+01 5.250549370e+01 6.798685284e+00 1.683138534e+01 4.367297503e+01 5.282439258e+00 1.679937178e+01 1.90 4.752558305e+01 1.374629365e+01 3.661910103e+01 4.751878641e+01 4.751198977e+01 5.585835770e+00 1.454557357e+01 3.939328747e+01 4.063857466e+00 1.462624445e+01 1.92 4.299079549e+01 1.158264331e+01 3.278857766e+01 4.298382297e+01 4.297685045e+01 4.505930158e+00 1.247827212e+01 3.549422718e+01 2.974885531e+00 1.267382936e+01 1.94 3.886106705e+01 9.599808320e+00 2.928978071e+01 3.885391568e+01 3.884676431e+01 3.542077866e+00 1.060512084e+01 3.193221582e+01 2.000685253e+00 1.091549717e+01 1.96 3.509000397e+01 7.781949707e+00 2.608764237e+01 3.508267084e+01 3.507533770e+01 2.679658780e+00 8.904857363e+00 2.866949612e+01 1.128259464e+00 9.328096585e+00 1.98 3.163728365e+01 6.115123652e+00 2.315163089e+01 3.162976590e+01 3.162224815e+01 1.906042690e+00 7.358933161e+00 2.567338264e+01 3.462332119e-01 7.891529007e+00 2.00 2.846789800e+01 4.587031863e+00 2.045501648e+01 2.846019285e+01 2.845248771e+01 1.210338674e+00 5.951172531e+00 2.291559916e+01 -3.553420840e-01 6.588368404e+00 2.02 2.555147741e+01 3.186804425e+00 1.797435458e+01 2.554358217e+01 2.553568694e+01 5.831713040e-01 4.667469787e+00 2.037169262e+01 -9.851639882e-01 5.403521556e+00 2.04 2.286169174e+01 1.904772830e+00 1.568907574e+01 2.285360382e+01 2.284551590e+01 1.648250890e-02 3.495522428e+00 1.802051907e+01 -1.550834786e+00 4.323926982e+00 2.06 2.037572131e+01 7.321616717e-01 1.358112321e+01 2.036743821e+01 2.035915511e+01 -4.966432679e-01 2.424596361e+00 1.584379284e+01 -2.058999372e+00 3.338288980e+00 2.08 1.807379020e+01 -3.390747661e-01 1.163463258e+01 1.806530955e+01 1.805682890e+01 -9.621331671e-01 1.445319720e+00 1.382569332e+01 -2.515467231e+00 2.436842980e+00 2.10 1.593875759e+01 -1.316324699e+00 9.835650577e+00 1.593007716e+01 1.592139672e+01 -1.385060673e+00 5.495027815e-01 1.195252258e+01 -2.925319583e+00 1.611150196e+00 2.12 1.395576015e+01 -2.206381604e+00 8.171888300e+00 1.394687784e+01 1.393799554e+01 -1.769763401e+00 -2.700192360e-01 1.021240853e+01 -3.293003472e+00 8.539178210e-01 2.14 1.211189985e+01 -3.015500346e+00 6.632505251e+00 1.210281375e+01 1.209372765e+01 -2.119945727e+00 -1.019525336e+00 8.595047654e+00 -3.622414207e+00 1.588419793e-01 2.16 1.039597310e+01 -3.749447250e+00 5.207921222e+00 1.038668147e+01 1.037738983e+01 -2.438767685e+00 -1.704557445e+00 7.091483255e+00 -3.916967204e+00 -4.795286516e-01 2.18 8.798235325e+00 -4.413544866e+00 3.889652289e+00 8.788736611e+00 8.779237897e+00 -2.728922018e+00 -2.330050972e+00 5.693914114e+00 -4.179660690e+00 -1.065911399e+00 2.20 7.310197376e+00 -5.012711952e+00 2.670168347e+00 7.300490254e+00 7.290783133e+00 -2.992700629e+00 -2.900414270e+00 4.395524165e+00 -4.413130219e+00 -1.604392215e+00 2.22 5.924449931e+00 -5.551499196e+00 1.542769662e+00 5.914533309e+00 5.904616687e+00 -3.232051708e+00 -3.419593605e+00 3.190243512e+00 -4.619695947e+00 -2.098514247e+00 2.24 4.634511839e+00 -6.034121194e+00 5.014797308e-01 4.624384882e+00 4.614257925e+00 -3.448628843e+00 -3.891129779e+00 2.072517582e+00 -4.801403706e+00 -2.551354372e+00 2.26 3.434698924e+00 -6.464485193e+00 -4.590479212e-01 3.424361075e+00 3.414023226e+00 -3.643833314e+00 -4.318207599e+00 1.037232450e+00 -4.960060753e+00 -2.965589462e+00 2.28 2.319943843e+00 -6.846225283e+00 -1.343655258e+00 2.309394848e+00 2.298845854e+00 -3.818872667e+00 -4.703721339e+00 7.964632453e-02 -5.097283551e+00 -3.343587059e+00 2.30 1.285510993e+00 -7.182749095e+00 -2.156874941e+00 1.274750928e+00 1.263990864e+00 -3.974854259e+00 -5.050374879e+00 -8.047135671e-01 -5.214571613e+00 -3.687548484e+00 2.32 3.269023179e-01 -7.477260028e+00 -2.902998007e+00 3.159316126e-01 3.049609073e-01 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