# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Lee-B-M-Lee-B-J--Zr-H # implementation = 2014--Lee-B-M--Zr-H--LAMMPS--ipr1 # composition = H # 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 6.107219410e+00 nan nan nan nan 0.80 nan nan nan nan nan 6.138351060e+00 nan nan nan nan 0.82 nan nan nan nan nan 6.191780165e+00 nan nan 1.887904992e+01 nan 0.84 nan nan nan nan nan 6.262285888e+00 nan nan 1.858465032e+01 nan 0.86 nan nan nan nan nan 6.345365199e+00 nan nan 1.831484433e+01 nan 0.88 nan nan nan nan nan 6.437151153e+00 nan nan 1.806444061e+01 nan 0.90 nan 5.053885786e+01 nan nan nan 6.534339708e+00 nan nan 1.782904933e+01 1.932665170e+01 0.92 nan 4.944169663e+01 nan nan nan 6.634124237e+00 1.860104961e+01 nan 1.760497889e+01 1.907210419e+01 0.94 nan 4.838090427e+01 nan nan nan 6.734136812e+00 1.839823459e+01 nan 1.738914479e+01 1.883829163e+01 0.96 nan 4.735140037e+01 nan nan nan 6.832395774e+00 1.820728411e+01 nan 1.717898923e+01 1.862099482e+01 0.98 nan 4.634893708e+01 3.138490054e+01 nan nan 6.927258874e+00 1.802505310e+01 nan 1.697241039e+01 1.841659172e+01 1.00 nan 4.536998436e+01 3.088728280e+01 nan 6.023851164e+01 7.017381387e+00 1.784888754e+01 5.903474029e+01 1.676770011e+01 1.822198788e+01 1.02 5.906025025e+01 4.441162938e+01 3.040752971e+01 5.904780017e+01 5.903535009e+01 7.101678820e+00 1.767656428e+01 5.784412044e+01 1.656348920e+01 1.803455433e+01 1.04 5.789357369e+01 4.347148840e+01 2.994239293e+01 5.788221362e+01 5.787085355e+01 7.179293637e+00 1.750623738e+01 5.668897997e+01 1.635869936e+01 1.785207199e+01 1.06 5.676103789e+01 4.254762970e+01 2.948911450e+01 5.675067460e+01 5.674031130e+01 7.249565638e+00 1.733639035e+01 5.556503348e+01 1.615250102e+01 1.767268201e+01 1.08 5.565858210e+01 4.163850627e+01 2.904536739e+01 5.564913018e+01 5.563967826e+01 7.312005651e+00 1.716579373e+01 5.446862647e+01 1.594427647e+01 1.749484141e+01 1.10 5.458273226e+01 4.074289709e+01 2.860920249e+01 5.457411349e+01 5.456549473e+01 7.366272136e+00 1.699346735e+01 5.339665681e+01 1.573358759e+01 1.731728359e+01 1.12 5.353052937e+01 3.985985604e+01 2.817900124e+01 5.352267214e+01 5.351481492e+01 7.412150449e+00 1.681864690e+01 5.234650491e+01 1.552014763e+01 1.713898309e+01 1.14 5.249946570e+01 3.898866755e+01 2.775343358e+01 5.249230444e+01 5.248514317e+01 7.449534473e+00 1.664075426e+01 5.131597169e+01 1.530379670e+01 1.695912421e+01 1.16 5.148742793e+01 3.812880804e+01 2.733142048e+01 5.148090258e+01 5.147437723e+01 7.478410371e+00 1.645937131e+01 5.030322357e+01 1.508448039e+01 1.677707320e+01 1.18 5.049264657e+01 3.727991267e+01 2.691210063e+01 5.048670218e+01 5.048075779e+01 7.498842238e+00 1.627421670e+01 4.930674371e+01 1.486223120e+01 1.659235349e+01 1.20 4.951365109e+01 3.644174661e+01 2.649480092e+01 4.950823736e+01 4.950282363e+01 7.510959462e+00 1.608512544e+01 4.832528888e+01 1.463715252e+01 1.640462374e+01 1.22 4.854923008e+01 3.561418027e+01 2.607901027e+01 4.854430097e+01 4.853937186e+01 7.514945596e+00 1.589203084e+01 4.735785131e+01 1.440940471e+01 1.621365843e+01 1.24 4.759839590e+01 3.479716814e+01 2.566435645e+01 4.759390929e+01 4.758942267e+01 7.511028597e+00 1.569494874e+01 4.640362507e+01 1.417919317e+01 1.601933068e+01 1.26 4.666035348e+01 3.399073062e+01 2.525058561e+01 4.665627082e+01 4.665218817e+01 7.499472276e+00 1.549396354e+01 4.546197641e+01 1.394675809e+01 1.582159709e+01 1.28 4.573447270e+01 3.319493860e+01 2.483754427e+01 4.573075874e+01 4.572704479e+01 7.480568824e+00 1.528921607e+01 4.453241771e+01 1.371236561e+01 1.562048439e+01 1.30 4.482026402e+01 3.240990035e+01 2.442516334e+01 4.481688651e+01 4.481350901e+01 7.454632309e+00 1.508089295e+01 4.361458456e+01 1.347630038e+01 1.541607769e+01 1.32 4.391735707e+01 3.163575048e+01 2.401344422e+01 4.391428652e+01 4.391121598e+01 7.421993027e+00 1.486921732e+01 4.270821575e+01 1.323885921e+01 1.520851017e+01 1.34 4.302548179e+01 3.087264067e+01 2.360244654e+01 4.302269124e+01 4.301990069e+01 7.382992615e+00 1.465444083e+01 4.181313572e+01 1.300034569e+01 1.499795407e+01 1.36 4.214445190e+01 3.012073198e+01 2.319227738e+01 4.214191669e+01 4.213938149e+01 7.337979842e+00 1.443683664e+01 4.092923931e+01 1.276106573e+01 1.478461280e+01 1.38 4.127415046e+01 2.938018846e+01 2.278308204e+01 4.127184806e+01 4.126954566e+01 7.287306996e+00 1.421669343e+01 4.005647843e+01 1.252132379e+01 1.456871410e+01 1.40 4.041451723e+01 2.865117194e+01 2.237503579e+01 4.041242704e+01 4.041033684e+01 7.231326810e+00 1.399431023e+01 3.919485056e+01 1.228141985e+01 1.435050408e+01 1.42 3.956553769e+01 2.793383782e+01 2.196833688e+01 3.956364089e+01 3.956174408e+01 7.170389847e+00 1.376999205e+01 3.834438882e+01 1.204164686e+01 1.413024209e+01 1.44 3.872723354e+01 2.722833172e+01 2.156320047e+01 3.872551292e+01 3.872379230e+01 7.104842310e+00 1.354404606e+01 3.750515337e+01 1.180228875e+01 1.390819628e+01 1.46 3.789965442e+01 2.653478688e+01 2.115985334e+01 3.789809428e+01 3.789653414e+01 7.035024208e+00 1.331677851e+01 3.667722408e+01 1.156361881e+01 1.368463979e+01 1.48 3.708287083e+01 2.585332216e+01 2.075852943e+01 3.708145683e+01 3.708004282e+01 6.961267850e+00 1.308849201e+01 3.586069431e+01 1.132589847e+01 1.345984755e+01 1.50 3.627696810e+01 2.518404059e+01 2.035946602e+01 3.627568713e+01 3.627440615e+01 6.883896616e+00 1.285948336e+01 3.505566552e+01 1.108937643e+01 1.323409354e+01 1.52 3.548204113e+01 2.452702839e+01 1.996290050e+01 3.548088122e+01 3.547972131e+01 6.803223975e+00 1.263004174e+01 3.426224287e+01 1.085428793e+01 1.300764845e+01 1.54 3.469819002e+01 2.388235434e+01 1.956906767e+01 3.469714026e+01 3.469609051e+01 6.719552720e+00 1.240044725e+01 3.348053145e+01 1.062085440e+01 1.278077780e+01 1.56 3.392551640e+01 2.325006953e+01 1.917819746e+01 3.392456683e+01 3.392361726e+01 6.633174391e+00 1.217096973e+01 3.271063322e+01 1.038928320e+01 1.255374035e+01 1.58 3.316412030e+01 2.263020726e+01 1.879051310e+01 3.316326183e+01 3.316240336e+01 6.544368850e+00 1.194186788e+01 3.195264441e+01 1.015976754e+01 1.232678683e+01 1.60 3.241409763e+01 2.202278329e+01 1.840622960e+01 3.241332196e+01 3.241254629e+01 6.453404015e+00 1.171338859e+01 3.120665355e+01 9.932486579e+00 1.210015887e+01 1.62 3.167553805e+01 2.142779617e+01 1.802555255e+01 3.167483762e+01 3.167413719e+01 6.360535695e+00 1.148576643e+01 3.047273984e+01 9.707605580e+00 1.187408826e+01 1.64 3.094852334e+01 2.084522778e+01 1.764867718e+01 3.094789125e+01 3.094725916e+01 6.266007543e+00 1.125922336e+01 2.975097184e+01 9.485276185e+00 1.164879631e+01 1.66 3.023312606e+01 2.027504393e+01 1.727578769e+01 3.023255602e+01 3.023198598e+01 6.170051087e+00 1.103396859e+01 2.904140663e+01 9.265636760e+00 1.142449344e+01 1.68 2.952940853e+01 1.971719507e+01 1.690705671e+01 2.952889482e+01 2.952838110e+01 6.072885842e+00 1.081019846e+01 2.834408910e+01 9.048812795e+00 1.120137888e+01 1.70 2.883742211e+01 1.917161705e+01 1.654264498e+01 2.883695949e+01 2.883649687e+01 5.974719479e+00 1.058809660e+01 2.765905152e+01 8.834917349e+00 1.097964049e+01 1.72 2.815720665e+01 1.863823198e+01 1.618270118e+01 2.815679037e+01 2.815637410e+01 5.875748053e+00 1.036783398e+01 2.698631336e+01 8.624051536e+00 1.075945476e+01 1.74 2.748879021e+01 1.811694902e+01 1.582736184e+01 2.748841594e+01 2.748804168e+01 5.776156262e+00 1.014956919e+01 2.632588119e+01 8.416305027e+00 1.054098681e+01 1.76 2.683218889e+01 1.760766529e+01 1.547675143e+01 2.683185269e+01 2.683151649e+01 5.676117751e+00 9.933448705e+00 2.567774879e+01 8.211756576e+00 1.032439050e+01 1.78 2.618740683e+01 1.711026672e+01 1.513098248e+01 2.618710510e+01 2.618680338e+01 5.575795443e+00 9.719607192e+00 2.504189736e+01 8.010474551e+00 1.010980864e+01 1.80 2.555443630e+01 1.662462891e+01 1.479015578e+01 2.555416578e+01 2.555389527e+01 5.475341880e+00 9.508167889e+00 2.441829579e+01 7.812517471e+00 9.897373184e+00 1.82 2.493325794e+01 1.615061798e+01 1.445436066e+01 2.493301567e+01 2.493277339e+01 5.374899594e+00 9.299242999e+00 2.380690106e+01 7.617934544e+00 9.687205551e+00 1.84 2.432384105e+01 1.568809143e+01 1.412367533e+01 2.432362431e+01 2.432340757e+01 5.274601479e+00 9.092934106e+00 2.320765870e+01 7.426766193e+00 9.479416903e+00 1.86 2.372614391e+01 1.523689894e+01 1.379816722e+01 2.372595025e+01 2.372575659e+01 5.174571174e+00 8.889332603e+00 2.262050323e+01 7.239044583e+00 9.274108496e+00 1.88 2.314011426e+01 1.479688312e+01 1.347789340e+01 2.313994144e+01 2.313976863e+01 5.074923448e+00 8.688520140e+00 2.204535875e+01 7.054794130e+00 9.071372039e+00 1.90 2.256568968e+01 1.436788034e+01 1.316290097e+01 2.256553568e+01 2.256538168e+01 4.975764591e+00 8.490569072e+00 2.148213944e+01 6.874032000e+00 8.871290069e+00 1.92 2.200279813e+01 1.394972138e+01 1.285322753e+01 2.200266110e+01 2.200252408e+01 4.877192790e+00 8.295542912e+00 2.093075017e+01 6.696768591e+00 8.673936340e+00 1.94 2.145135843e+01 1.354223217e+01 1.254890159e+01 2.145123671e+01 2.145111499e+01 4.779298520e+00 8.103496777e+00 2.039108707e+01 6.523008000e+00 8.479376209e+00 1.96 2.091128082e+01 1.314523443e+01 1.224994305e+01 2.091117288e+01 2.091106495e+01 4.682164911e+00 7.914477839e+00 1.986303813e+01 6.352748472e+00 8.287667041e+00 1.98 2.038246742e+01 1.275854629e+01 1.195636364e+01 2.038237190e+01 2.038227637e+01 4.585868117e+00 7.728525757e+00 1.934648378e+01 6.185982833e+00 8.098858592e+00 2.00 1.986481286e+01 1.238198288e+01 1.166816739e+01 1.986472850e+01 1.986464414e+01 4.490477678e+00 7.545673114e+00 1.884129746e+01 6.022698902e+00 7.912993414e+00 2.02 1.935820474e+01 1.201535688e+01 1.138535107e+01 1.935813041e+01 1.935805608e+01 4.396056867e+00 7.365945830e+00 1.834734620e+01 5.862879884e+00 7.730107233e+00 2.04 1.886252419e+01 1.165847903e+01 1.110790462e+01 1.886245886e+01 1.886239354e+01 4.302663028e+00 7.189363575e+00 1.786449122e+01 5.706504744e+00 7.550229332e+00 2.06 1.837764639e+01 1.131115866e+01 1.083581162e+01 1.837758914e+01 1.837753189e+01 4.210347910e+00 7.015940163e+00 1.739258839e+01 5.553548572e+00 7.373382925e+00 2.08 1.790344106e+01 1.097320405e+01 1.056904967e+01 1.790339105e+01 1.790334104e+01 4.119157975e+00 6.845683931e+00 1.693148885e+01 5.403982910e+00 7.199585516e+00 2.10 1.743977300e+01 1.064442295e+01 1.030759083e+01 1.743972947e+01 1.743968594e+01 4.029134714e+00 6.678598112e+00 1.648103944e+01 5.257776082e+00 7.028849255e+00 2.12 1.698650252e+01 1.032462291e+01 1.005140203e+01 1.698646478e+01 1.698642704e+01 3.940314933e+00 6.514681184e+00 1.604108324e+01 5.114893490e+00 6.861181276e+00 2.14 1.654348592e+01 1.001361164e+01 9.800445402e+00 1.654345336e+01 1.654342079e+01 3.852731040e+00 6.353927208e+00 1.561146003e+01 4.975297904e+00 6.696584026e+00 2.16 1.611057597e+01 9.711197361e+00 9.554678717e+00 1.611054802e+01 1.611052006e+01 3.766411311e+00 6.196326160e+00 1.519200672e+01 4.838949728e+00 6.535055582e+00 2.18 1.568762229e+01 9.417189112e+00 9.314055690e+00 1.568759844e+01 1.568757459e+01 3.681380153e+00 6.041864230e+00 1.478255777e+01 4.705807254e+00 6.376589955e+00 2.20 1.527447176e+01 9.131397009e+00 9.078526346e+00 1.527445156e+01 1.527443136e+01 3.597658349e+00 5.890524124e+00 1.438294564e+01 4.575826900e+00 6.221177382e+00 2.22 1.487096896e+01 8.853632509e+00 8.848037337e+00 1.487095200e+01 1.487093504e+01 3.515263293e+00 5.742285342e+00 1.399300109e+01 4.448963429e+00 6.068804606e+00 2.24 1.447695648e+01 8.583708643e+00 8.622532251e+00 1.447694240e+01 1.447692831e+01 3.434209216e+00 5.597124443e+00 1.361255364e+01 4.325170158e+00 5.919455138e+00 2.26 1.409227533e+01 8.321440222e+00 8.401951911e+00 1.409226378e+01 1.409225223e+01 3.354507396e+00 5.455015300e+00 1.324143182e+01 4.204399157e+00 5.773109513e+00 2.28 1.371676519e+01 8.066644028e+00 8.186234651e+00 1.371675588e+01 1.371674657e+01 3.276166368e+00 5.315929336e+00 1.287946353e+01 4.086601422e+00 5.629745535e+00 2.30 1.335026482e+01 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