# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al # implementation = 1996--Farkas-D--Nb-Ti-Al--LAMMPS--ipr1 # composition = Nb3Ti # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 -5.775405551e+03 nan nan 0.98 -5.099948319e+03 nan nan 1.00 -4.513115861e+03 nan nan 1.02 -4.001591418e+03 nan nan 1.04 -3.554264459e+03 nan nan 1.06 -3.162297787e+03 -5.220642608e+03 nan 1.08 -2.817833537e+03 -4.662792068e+03 -5.534733921e+03 1.10 -2.514617102e+03 -4.171499357e+03 -4.954055419e+03 1.12 -2.246822707e+03 -3.738017856e+03 -4.441485510e+03 1.14 -2.010022285e+03 -3.354385725e+03 -3.988336110e+03 1.16 -1.799963088e+03 -3.014187782e+03 -3.586494298e+03 1.18 -1.613423940e+03 -2.712164203e+03 -3.229645268e+03 1.20 -1.447149866e+03 -2.443214327e+03 -2.911826261e+03 1.22 -1.298819488e+03 -2.203246990e+03 -2.628351282e+03 1.24 -1.166180965e+03 -1.988936124e+03 -2.375065607e+03 1.26 -1.047239143e+03 -1.796935640e+03 -2.148346262e+03 1.28 -9.404589717e+02 -1.624635236e+03 -1.945007526e+03 1.30 -8.443851120e+02 -1.469805740e+03 -1.762313845e+03 1.32 -7.578176356e+02 -1.330554487e+03 -1.597841695e+03 1.34 -6.797662507e+02 -1.204937124e+03 -1.449503708e+03 1.36 -6.091342650e+02 -1.091375848e+03 -1.315749987e+03 1.38 -5.451758764e+02 -9.885815006e+02 -1.194639353e+03 1.40 -4.872169264e+02 -8.953679759e+02 -1.084890068e+03 1.42 -4.347741615e+02 -8.108302272e+02 -9.854131568e+02 1.44 -3.871597990e+02 -7.339241039e+02 -8.950527424e+02 1.46 -3.439454670e+02 -6.638780899e+02 -8.127869126e+02 1.48 -3.046435558e+02 -6.000278233e+02 -7.378240233e+02 1.50 -2.688703806e+02 -5.417938339e+02 -6.694561372e+02 1.52 -2.362146839e+02 -4.886062998e+02 -6.071005303e+02 1.54 -2.063435857e+02 -4.400253948e+02 -5.500074413e+02 1.56 -1.789955337e+02 -3.956176671e+02 -4.977036254e+02 1.58 -1.539416528e+02 -3.549390526e+02 -4.497477109e+02 1.60 -1.309750854e+02 -3.176734352e+02 -4.057414424e+02 1.62 -1.099501062e+02 -2.834307601e+02 -3.653072086e+02 1.64 -9.056247278e+01 -2.519262319e+02 -3.283092039e+02 1.66 -7.266952257e+01 -2.229232505e+02 -2.941643575e+02 1.68 -5.609436108e+01 -1.962104445e+02 -2.627135263e+02 1.70 -4.074257512e+01 -1.716649535e+02 -2.337380072e+02 1.72 -2.652213987e+01 -1.491096425e+02 -2.069808588e+02 1.74 -1.333868959e+01 -1.282832604e+02 -1.822131730e+02 1.76 -1.194829796e+00 -1.090402850e+02 -1.592740547e+02 1.78 1.012840617e+01 -9.122321600e+01 -1.380733738e+02 1.80 1.948580068e+01 -7.470582280e+01 -1.183815069e+02 1.82 1.792085845e+01 -5.934330447e+01 -1.001014326e+02 1.84 1.563807306e+01 -4.503893408e+01 -8.312076592e+01 1.86 1.356380168e+01 -3.170836779e+01 -6.732215600e+01 1.88 1.168398770e+01 -1.927446875e+01 -5.260436142e+01 1.90 9.985459344e+00 -7.664893455e+00 -3.888690167e+01 1.92 8.456105082e+00 3.185207179e+00 -2.609673763e+01 1.94 7.047516485e+00 1.332716741e+01 -1.416783528e+01 1.96 5.779633780e+00 1.734428856e+01 -3.112825064e+00 1.98 4.627848208e+00 1.794438549e+01 7.232816907e+00 2.00 3.572944225e+00 1.586225025e+01 1.689382472e+01 2.02 2.604367471e+00 1.388826437e+01 1.992841236e+01 2.04 1.714310114e+00 1.206763180e+01 1.774961964e+01 2.06 8.955821620e-01 1.039011011e+01 1.574026249e+01 2.08 1.418706634e-01 8.846080419e+00 1.389281101e+01 2.10 -5.522902903e-01 7.426896954e+00 1.218353760e+01 2.12 -1.192339431e+00 6.124698321e+00 1.059444300e+01 2.14 -1.783655277e+00 4.932114919e+00 9.116985037e+00 2.16 -2.330716098e+00 3.842906542e+00 7.743521584e+00 2.18 -2.902410334e+00 2.851535835e+00 6.467322273e+00 2.20 -3.405166605e+00 1.952425648e+00 5.281168496e+00 2.22 -3.863726688e+00 1.135290030e+00 4.086655876e+00 2.24 -4.281091055e+00 3.858934426e-01 3.014336557e+00 2.26 -4.660042075e+00 -3.005649950e-01 2.024119512e+00 2.28 -5.002941084e+00 -9.815930848e-01 1.110602662e+00 2.30 -5.312211568e+00 -1.579450139e+00 2.686419914e-01 2.32 -5.590159780e+00 -2.123021846e+00 -5.064418846e-01 2.34 -5.839004687e+00 -2.667867006e+00 -1.218739852e+00 2.36 -6.061128856e+00 -3.131724337e+00 -1.871955359e+00 2.38 -6.258916119e+00 -3.550370868e+00 -2.469400587e+00 2.40 -6.434635236e+00 -3.931815692e+00 -3.014213388e+00 2.42 -6.589435067e+00 -4.278745792e+00 -3.509438255e+00 2.44 -6.723536907e+00 -4.593737145e+00 -3.957913483e+00 2.46 -6.838342612e+00 -4.879228421e+00 -4.362196270e+00 2.48 -6.935118098e+00 -5.137465552e+00 -4.724645713e+00 2.50 -7.015070067e+00 -5.370504078e+00 -5.047623522e+00 2.52 -7.080302923e+00 -5.580289487e+00 -5.333386947e+00 2.54 -7.135220747e+00 -5.768679171e+00 -5.584145027e+00 2.56 -7.222999631e+00 -5.937548780e+00 -5.803469712e+00 2.58 -7.281873520e+00 -6.088809008e+00 -5.996624833e+00 2.60 -7.329797074e+00 -6.224290101e+00 -6.165563942e+00 2.62 -7.367659812e+00 -6.345576265e+00 -6.350467650e+00 2.64 -7.396163784e+00 -6.453915941e+00 -6.503059715e+00 2.66 -7.415841144e+00 -6.550406023e+00 -6.638728669e+00 2.68 -7.427157004e+00 -6.636088753e+00 -6.758701608e+00 2.70 -7.430543689e+00 -6.711965055e+00 -6.864058236e+00 2.72 -7.426412915e+00 -6.778997186e+00 -6.955768952e+00 2.74 -7.415056247e+00 -6.838132458e+00 -7.034754376e+00 2.76 -7.396796462e+00 -6.890246160e+00 -7.101873667e+00 2.78 -7.371963991e+00 -6.934928664e+00 -7.157951092e+00 2.80 -7.340855355e+00 -6.972567013e+00 -7.203766866e+00 2.82 -7.303749441e+00 -7.003953417e+00 -7.240088586e+00 2.84 -7.260845144e+00 -7.029813703e+00 -7.267739548e+00 2.86 -7.212267739e+00 -7.050740988e+00 -7.287580387e+00 2.88 -7.158112053e+00 -7.067223927e+00 -7.300446794e+00 2.90 -7.098463685e+00 -7.079630964e+00 -7.307121374e+00 2.92 -7.033400317e+00 -7.088261969e+00 -7.308298397e+00 2.94 -6.963068935e+00 -7.109528971e+00 -7.304559487e+00 2.96 -6.889802735e+00 -7.116973857e+00 -7.296413742e+00 2.98 -6.815097164e+00 -7.120289934e+00 -7.284262563e+00 3.00 -6.738996261e+00 -7.119729641e+00 -7.268483771e+00 3.02 -6.661537340e+00 -7.115528597e+00 -7.249430094e+00 3.04 -6.582752893e+00 -7.107873445e+00 -7.227454952e+00 3.06 -6.502664512e+00 -7.135382462e+00 -7.202827002e+00 3.08 -6.421297073e+00 -7.138869654e+00 -7.175826328e+00 3.10 -6.338685932e+00 -7.136034224e+00 -7.146779543e+00 3.12 -6.254875419e+00 -7.127048974e+00 -7.116000742e+00 3.14 -6.169912278e+00 -7.113137551e+00 -7.083787058e+00 3.16 -6.083868089e+00 -7.094906184e+00 -7.050431521e+00 3.18 -5.996831438e+00 -7.072428786e+00 -7.016203973e+00 3.20 -5.908902876e+00 -7.045766086e+00 -6.980688046e+00 3.22 -5.820183989e+00 -7.014969646e+00 -6.943238849e+00 3.24 -5.730611249e+00 -6.980084378e+00 -6.903971902e+00 3.26 -5.663638287e+00 -6.941145423e+00 -6.862997311e+00 3.28 -5.580031915e+00 -6.898226359e+00 -6.820417900e+00 3.30 -5.494313335e+00 -6.851498145e+00 -6.776328682e+00 3.32 -5.406608760e+00 -6.801174568e+00 -6.730823316e+00 3.34 -5.317053375e+00 -6.747465511e+00 -6.683983990e+00 3.36 -5.225802557e+00 -6.690530895e+00 -6.635895670e+00 3.38 -5.133027426e+00 -6.630427246e+00 -6.622522151e+00 3.40 -5.039035848e+00 -6.567191939e+00 -6.588721126e+00 3.42 -4.944292308e+00 -6.500875625e+00 -6.551287455e+00 3.44 -4.849276044e+00 -6.431564606e+00 -6.510287468e+00 3.46 -4.754456901e+00 -6.359355807e+00 -6.465776135e+00 3.48 -4.660159542e+00 -6.284354424e+00 -6.417779772e+00 3.50 -4.566632565e+00 -6.206674172e+00 -6.366300944e+00 3.52 -4.474141502e+00 -6.126424065e+00 -6.311340895e+00 3.54 -4.382975966e+00 -6.043695359e+00 -6.252908596e+00 3.56 -4.293438440e+00 -5.958577651e+00 -6.191012341e+00 3.58 -4.205890676e+00 -5.871164355e+00 -6.125669647e+00 3.60 -4.118221908e+00 -5.781564874e+00 -6.056920299e+00 3.62 -4.028512196e+00 -5.690498061e+00 -5.985872494e+00 3.64 -3.938096051e+00 -5.598350705e+00 -5.913139250e+00 3.66 -3.848255729e+00 -5.505218700e+00 -5.838725777e+00 3.68 -3.759964792e+00 -5.411201258e+00 -5.762632161e+00 3.70 -3.670540144e+00 -5.316406804e+00 -5.684856692e+00 3.72 -3.579414843e+00 -5.220941607e+00 -5.605401410e+00 3.74 -3.487193458e+00 -5.124916947e+00 -5.524273079e+00 3.76 -3.394410917e+00 -5.028456308e+00 -5.441478992e+00 3.78 -3.301537226e+00 -4.931695791e+00 -5.357038345e+00 3.80 -3.208981363e+00 -4.834844291e+00 -5.271084043e+00 3.82 -3.117096123e+00 -4.738180313e+00 -5.183835776e+00 3.84 -3.026183567e+00 -4.641996105e+00 -5.095519638e+00 3.86 -2.936491713e+00 -4.546597182e+00 -5.006360163e+00 3.88 -2.848231768e+00 -4.452200543e+00 -4.916491148e+00 3.90 -2.761594647e+00 -4.357058929e+00 -4.825922489e+00 3.92 -2.676739201e+00 -4.259550162e+00 -4.734668973e+00 3.94 -2.593750622e+00 -4.159728238e+00 -4.642739485e+00 3.96 -2.512694173e+00 -4.058117633e+00 -4.550141635e+00 3.98 -2.433757615e+00 -3.954997596e+00 -4.456887486e+00 4.00 -2.357218440e+00 -3.850639463e+00 -4.362969909e+00 4.02 -2.283061653e+00 -3.745314215e+00 -4.267679929e+00 4.04 -2.209955440e+00 -3.639280453e+00 -4.167783037e+00 4.06 -2.136139099e+00 -3.532791378e+00 -4.063678168e+00 4.08 -2.063333318e+00 -3.426095143e+00 -3.956107896e+00 4.10 -1.993033904e+00 -3.319425432e+00 -3.845780735e+00 4.12 -1.925899396e+00 -3.213017958e+00 -3.733361727e+00 4.14 -1.858888093e+00 -3.107095528e+00 -3.619479660e+00 4.16 -1.787491813e+00 -3.001871773e+00 -3.504718911e+00 4.18 -1.711499662e+00 -2.897585630e+00 -3.389639417e+00 4.20 -1.635636762e+00 -2.794445889e+00 -3.274756306e+00 4.22 -1.571571162e+00 -2.692547531e+00 -3.160567465e+00 4.24 -1.523471706e+00 -2.592431180e+00 -3.047530636e+00 4.26 -1.492491997e+00 -2.494032408e+00 -2.936144219e+00 4.28 -1.459990978e+00 -2.397334802e+00 -2.826740195e+00 4.30 -1.408801302e+00 -2.304290675e+00 -2.719883780e+00 4.32 -1.327147799e+00 -2.210819775e+00 -2.616388999e+00 4.34 -1.207185654e+00 -2.117700461e+00 -2.515130035e+00 4.36 -1.065309797e+00 -2.040929191e+00 -2.417831889e+00 4.38 -9.182681176e-01 -1.978013371e+00 -2.329400627e+00 4.40 -7.752113264e-01 -1.894259351e+00 -2.244838655e+00 4.42 -6.472733243e-01 -1.775138871e+00 -2.155539981e+00 4.44 -5.408172594e-01 -1.648595632e+00 -2.068732199e+00 4.46 -4.561263764e-01 -1.540936515e+00 -1.998427604e+00 4.48 -3.889463056e-01 -1.461880741e+00 -1.946883977e+00 4.50 -3.358680680e-01 -1.407642593e+00 -1.908208052e+00 4.52 -2.908220200e-01 -1.364949751e+00 -1.875234716e+00 4.54 -2.497292302e-01 -1.324850352e+00 -1.843712943e+00 4.56 -2.123518698e-01 -1.285827096e+00 -1.811481874e+00 4.58 -1.784569152e-01 -1.246340894e+00 -1.776320620e+00 4.60 -1.478184785e-01 -1.205902067e+00 -1.737562135e+00 4.62 -1.202247340e-01 -1.164390950e+00 -1.695076376e+00 4.64 -9.568150022e-02 -1.120707036e+00 -1.647248494e+00 4.66 -7.387939999e-02 -1.074072935e+00 -1.592868459e+00 4.68 -5.443370887e-02 -1.023962454e+00 -1.531090723e+00 4.70 -3.703392083e-02 -9.704962945e-01 -1.462328152e+00 4.72 -2.142957893e-02 -9.148127421e-01 -1.388513712e+00 4.74 -7.412869120e-03 -8.578853233e-01 -1.311318941e+00 4.76 5.189352207e-03 -8.005124921e-01 -1.232140033e+00 4.78 1.652674448e-02 -7.433399706e-01 -1.152134035e+00 4.80 2.672957631e-02 -6.868547898e-01 -1.072209351e+00 4.82 3.591654446e-02 -6.309683475e-01 -9.924014513e-01 4.84 4.419559535e-02 -5.761708303e-01 -9.136024785e-01 4.86 5.166932152e-02 -5.230901893e-01 -8.368997218e-01 4.88 5.843442152e-02 -4.724931247e-01 -7.631458084e-01 4.90 6.458597838e-02 -4.249785197e-01 -6.929959258e-01 4.92 6.991404023e-02 -3.807431987e-01 -6.269400056e-01 4.94 7.394495213e-02 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