# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Co3Ni # 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 2024-03-01 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 -4.744146309e+02 nan nan 0.92 -4.430725502e+02 nan nan 0.94 -4.148882864e+02 nan nan 0.96 -3.892404306e+02 nan nan 0.98 -3.653110879e+02 nan nan 1.00 -3.427215202e+02 nan nan 1.02 -3.213819088e+02 -4.223598376e+02 -4.610693365e+02 1.04 -3.012011533e+02 -3.989365705e+02 -4.354116698e+02 1.06 -2.822920282e+02 -3.769492203e+02 -4.113719684e+02 1.08 -2.648390961e+02 -3.564749130e+02 -3.881247802e+02 1.10 -2.487183574e+02 -3.370236809e+02 -3.656335581e+02 1.12 -2.337056940e+02 -3.179863541e+02 -3.441449559e+02 1.14 -2.198653768e+02 -2.992844362e+02 -3.239908759e+02 1.16 -2.072522229e+02 -2.810857988e+02 -3.053009763e+02 1.18 -1.957134450e+02 -2.638227293e+02 -2.880989085e+02 1.20 -1.848367934e+02 -2.480457577e+02 -2.725759700e+02 1.22 -1.742586403e+02 -2.338622904e+02 -2.587493684e+02 1.24 -1.638485376e+02 -2.209604754e+02 -2.461468005e+02 1.26 -1.536313183e+02 -2.091102643e+02 -2.342049292e+02 1.28 -1.437385122e+02 -1.983051236e+02 -2.225447608e+02 1.30 -1.342278499e+02 -1.883682494e+02 -2.111260146e+02 1.32 -1.250277910e+02 -1.789794817e+02 -2.000107261e+02 1.34 -1.161348935e+02 -1.698648467e+02 -1.892201741e+02 1.36 -1.076058366e+02 -1.610339071e+02 -1.788498741e+02 1.38 -9.941718439e+01 -1.526441975e+02 -1.689690554e+02 1.40 -9.150520411e+01 -1.446972408e+02 -1.595421476e+02 1.42 -8.388605330e+01 -1.369725649e+02 -1.505283734e+02 1.44 -7.667541339e+01 -1.292619840e+02 -1.420326296e+02 1.46 -6.984347564e+01 -1.214495986e+02 -1.341508078e+02 1.48 -6.319137277e+01 -1.135314719e+02 -1.267992274e+02 1.50 -5.651704363e+01 -1.056069943e+02 -1.197384570e+02 1.52 -4.979367523e+01 -9.779702821e+01 -1.126824987e+02 1.54 -4.316090853e+01 -9.017327258e+01 -1.055117403e+02 1.56 -3.675706135e+01 -8.269423987e+01 -9.829490917e+01 1.58 -3.062035319e+01 -7.524224565e+01 -9.114783721e+01 1.60 -2.471602138e+01 -6.772441582e+01 -8.412656536e+01 1.62 -1.901127724e+01 -6.017542334e+01 -7.719327354e+01 1.64 -1.353680941e+01 -5.276570382e+01 -7.031374162e+01 1.66 -8.822244104e+00 -4.569004840e+01 -6.352075052e+01 1.68 -5.448833445e+00 -3.904743657e+01 -5.684392159e+01 1.70 -3.114510276e+00 -3.283740362e+01 -5.031054002e+01 1.72 -1.704135781e+00 -2.705901964e+01 -4.394440152e+01 1.74 -9.409947787e-01 -2.173515430e+01 -3.778131444e+01 1.76 -6.069603525e-01 -1.687713655e+01 -3.188709339e+01 1.78 -5.504589177e-01 -1.244079945e+01 -2.630865483e+01 1.80 -6.646005474e-01 -8.453535330e+00 -2.106126128e+01 1.82 -8.759234426e-01 -5.438622578e+00 -1.614321364e+01 1.84 -1.135010068e+00 -3.320612558e+00 -1.157172621e+01 1.86 -1.408272958e+00 -1.910047375e+00 -7.541485355e+00 1.88 -1.675393482e+00 -1.041400441e+00 -4.648083912e+00 1.90 -1.932599177e+00 -5.680935426e-01 -2.713031700e+00 1.92 -2.183645984e+00 -3.690525166e-01 -1.477808797e+00 1.94 -2.425142741e+00 -3.569509980e-01 -7.391627520e-01 1.96 -2.648830329e+00 -4.720620158e-01 -3.505701503e-01 1.98 -2.849428827e+00 -6.700658198e-01 -2.067397049e-01 2.00 -3.027709058e+00 -9.185636208e-01 -2.276319829e-01 2.02 -3.188075156e+00 -1.194438270e+00 -3.564872664e-01 2.04 -3.335038689e+00 -1.482607003e+00 -5.553979963e-01 2.06 -3.470937123e+00 -1.773574502e+00 -8.005777971e-01 2.08 -3.595862317e+00 -2.061000875e+00 -1.076864787e+00 2.10 -3.709000263e+00 -2.339836938e+00 -1.372230991e+00 2.12 -3.809513223e+00 -2.605660024e+00 -1.675559895e+00 2.14 -3.897864572e+00 -2.854582731e+00 -1.975770377e+00 2.16 -3.975030008e+00 -3.083354710e+00 -2.263916810e+00 2.18 -4.041673185e+00 -3.289227960e+00 -2.535199478e+00 2.20 -4.097685590e+00 -3.468733346e+00 -2.789065682e+00 2.22 -4.142892557e+00 -3.620436348e+00 -3.025528821e+00 2.24 -4.177656197e+00 -3.746947727e+00 -3.246499132e+00 2.26 -4.202042431e+00 -3.851506590e+00 -3.453279174e+00 2.28 -4.216035929e+00 -3.936988964e+00 -3.643419192e+00 2.30 -4.219387302e+00 -4.005971891e+00 -3.813235322e+00 2.32 -4.211665336e+00 -4.061558896e+00 -3.959826162e+00 2.34 -4.193731680e+00 -4.107050056e+00 -4.081609944e+00 2.36 -4.166873843e+00 -4.145638383e+00 -4.178965243e+00 2.38 -4.132240990e+00 -4.180083554e+00 -4.254153179e+00 2.40 -4.090574092e+00 -4.211894947e+00 -4.310473668e+00 2.42 -4.042072278e+00 -4.241376342e+00 -4.351475018e+00 2.44 -3.986874673e+00 -4.267832153e+00 -4.380666854e+00 2.46 -3.925246213e+00 -4.289658351e+00 -4.400925696e+00 2.48 -3.857666515e+00 -4.305323187e+00 -4.413577051e+00 2.50 -3.785022141e+00 -4.313766033e+00 -4.419068542e+00 2.52 -3.708318250e+00 -4.314561110e+00 -4.416739701e+00 2.54 -3.628478433e+00 -4.307154773e+00 -4.405822568e+00 2.56 -3.546395313e+00 -4.291024765e+00 -4.386431877e+00 2.58 -3.462715815e+00 -4.265867355e+00 -4.359340950e+00 2.60 -3.378076480e+00 -4.231840296e+00 -4.325723782e+00 2.62 -3.293129241e+00 -4.189369915e+00 -4.286803134e+00 2.64 -3.208323288e+00 -4.139113012e+00 -4.243529665e+00 2.66 -3.123747721e+00 -4.081867116e+00 -4.196859698e+00 2.68 -3.039511336e+00 -4.018369365e+00 -4.147807505e+00 2.70 -2.955741382e+00 -3.949343573e+00 -4.097336400e+00 2.72 -2.872013479e+00 -3.875532303e+00 -4.046198105e+00 2.74 -2.787713854e+00 -3.797698842e+00 -3.994773590e+00 2.76 -2.702230502e+00 -3.716691155e+00 -3.942956667e+00 2.78 -2.615009952e+00 -3.633475500e+00 -3.890154128e+00 2.80 -2.525880509e+00 -3.549158063e+00 -3.835765776e+00 2.82 -2.435072735e+00 -3.464808634e+00 -3.779258226e+00 2.84 -2.343183441e+00 -3.381280258e+00 -3.720140057e+00 2.86 -2.251491255e+00 -3.299118610e+00 -3.658146335e+00 2.88 -2.161402841e+00 -3.218488039e+00 -3.593249060e+00 2.90 -2.073946025e+00 -3.139280535e+00 -3.525598135e+00 2.92 -1.989705421e+00 -3.061359236e+00 -3.455438540e+00 2.94 -1.908835359e+00 -2.984114682e+00 -3.382967861e+00 2.96 -1.831225286e+00 -2.906812382e+00 -3.308406238e+00 2.98 -1.756706495e+00 -2.828983912e+00 -3.232070422e+00 3.00 -1.685123760e+00 -2.750455922e+00 -3.154333690e+00 3.02 -1.616374645e+00 -2.671301325e+00 -3.075373312e+00 3.04 -1.550427150e+00 -2.591759984e+00 -2.995354080e+00 3.06 -1.487292598e+00 -2.512050546e+00 -2.914609180e+00 3.08 -1.426994586e+00 -2.432259594e+00 -2.833531277e+00 3.10 -1.369588468e+00 -2.352406034e+00 -2.752385026e+00 3.12 -1.315094537e+00 -2.272346691e+00 -2.671390247e+00 3.14 -1.263470576e+00 -2.192126559e+00 -2.590630134e+00 3.16 -1.214642184e+00 -2.112071624e+00 -2.509990779e+00 3.18 -1.168549169e+00 -2.032668205e+00 -2.429189241e+00 3.20 -1.125093765e+00 -1.954454342e+00 -2.347994101e+00 3.22 -1.084171317e+00 -1.877924131e+00 -2.266572345e+00 3.24 -1.045675125e+00 -1.803508884e+00 -2.184859554e+00 3.26 -1.009458978e+00 -1.731549031e+00 -2.102810696e+00 3.28 -9.753541225e-01 -1.662270716e+00 -2.020565273e+00 3.30 -9.431966424e-01 -1.595772934e+00 -1.938409750e+00 3.32 -9.128301629e-01 -1.532027775e+00 -1.856723379e+00 3.34 -8.841024015e-01 -1.470896907e+00 -1.775926455e+00 3.36 -8.568606300e-01 -1.412191414e+00 -1.696439828e+00 3.38 -8.309339214e-01 -1.355716914e+00 -1.618612288e+00 3.40 -8.061295716e-01 -1.301320055e+00 -1.542701995e+00 3.42 -7.822476974e-01 -1.248979159e+00 -1.468956321e+00 3.44 -7.591144730e-01 -1.198727521e+00 -1.397616972e+00 3.46 -7.366232128e-01 -1.150624747e+00 -1.328915551e+00 3.48 -7.147189811e-01 -1.104737450e+00 -1.263069750e+00 3.50 -6.933550093e-01 -1.061119362e+00 -1.200280456e+00 3.52 -6.724821559e-01 -1.019796608e+00 -1.140728381e+00 3.54 -6.520489832e-01 -9.807604035e-01 -1.084572196e+00 3.56 -6.320019707e-01 -9.439675804e-01 -1.031945969e+00 3.58 -6.122852110e-01 -9.093443580e-01 -9.829577466e-01 3.60 -5.928408356e-01 -8.767959299e-01 -9.376874369e-01 3.62 -5.736085107e-01 -8.462164458e-01 -8.961856745e-01 3.64 -5.545239648e-01 -8.174912157e-01 -8.584579722e-01 3.66 -5.355125496e-01 -7.905174733e-01 -8.244297031e-01 3.68 -5.164960747e-01 -7.651946763e-01 -7.939818619e-01 3.70 -4.973949710e-01 -7.414154263e-01 -7.669454980e-01 3.72 -4.781499115e-01 -7.190661135e-01 -7.430696209e-01 3.74 -4.587258858e-01 -6.980277195e-01 -7.220586932e-01 3.76 -4.391013028e-01 -6.781762085e-01 -7.035865664e-01 3.78 -4.193021079e-01 -6.593833165e-01 -6.873046874e-01 3.80 -3.993684952e-01 -6.415166595e-01 -6.728519664e-01 3.82 -3.793426850e-01 -6.244401039e-01 -6.598670522e-01 3.84 -3.592694229e-01 -6.080141104e-01 -6.480006780e-01 3.86 -3.391978388e-01 -5.921024221e-01 -6.369355806e-01 3.88 -3.191981942e-01 -5.766261487e-01 -6.264708160e-01 3.90 -2.993483801e-01 -5.615365488e-01 -6.164811515e-01 3.92 -2.797121831e-01 -5.467851411e-01 -6.068775360e-01 3.94 -2.603544698e-01 -5.323305175e-01 -5.976243175e-01 3.96 -2.413454629e-01 -5.181451549e-01 -5.887048046e-01 3.98 -2.227603490e-01 -5.042039347e-01 -5.801027357e-01 4.00 -2.046791929e-01 -4.904825202e-01 -5.717944771e-01 4.02 -1.871865554e-01 -4.769575614e-01 -5.637439175e-01 4.04 -1.703713636e-01 -4.636068912e-01 -5.559007950e-01 4.06 -1.543266221e-01 -4.504093834e-01 -5.482008034e-01 4.08 -1.391505051e-01 -4.373449911e-01 -5.405670696e-01 4.10 -1.249429850e-01 -4.243950366e-01 -5.329137423e-01 4.12 -1.118032423e-01 -4.115416561e-01 -5.251492320e-01 4.14 -9.982723775e-02 -3.987581047e-01 -5.171844529e-01 4.16 -8.910567605e-02 -3.860021847e-01 -5.089318782e-01 4.18 -7.972053258e-02 -3.732313951e-01 -5.003038363e-01 4.20 -7.174319529e-02 -3.604128290e-01 -4.912250563e-01 4.22 -6.523741292e-02 -3.475597712e-01 -4.816874618e-01 4.24 -6.024879941e-02 -3.347017322e-01 -4.717054727e-01 4.26 -5.679171243e-02 -3.218693983e-01 -4.612934281e-01 4.28 -5.477555499e-02 -3.090945603e-01 -4.504656331e-01 4.30 -5.402189008e-02 -2.964099612e-01 -4.392361939e-01 4.32 -5.431836565e-02 -2.838489900e-01 -4.276191899e-01 4.34 -5.542330044e-02 -2.714457584e-01 -4.156286911e-01 4.36 -5.707303267e-02 -2.592342764e-01 -4.032783870e-01 4.38 -5.899335814e-02 -2.472487425e-01 -3.905823448e-01 4.40 -6.091489513e-02 -2.355221328e-01 -3.775540931e-01 4.42 -6.259102145e-02 -2.240863001e-01 -3.642073446e-01 4.44 -6.378700892e-02 -2.129706541e-01 -3.505556485e-01 4.46 -6.416659696e-02 -2.022013813e-01 -3.366126920e-01 4.48 -6.349598143e-02 -1.918001639e-01 -3.223917635e-01 4.50 -6.170925017e-02 -1.817828947e-01 -3.079064218e-01 4.52 -5.888661445e-02 -1.721553792e-01 -2.931700199e-01 4.54 -5.523477359e-02 -1.628918896e-01 -2.782017298e-01 4.56 -5.104090369e-02 -1.539588181e-01 -2.630435640e-01 4.58 -4.661642785e-02 -1.453172077e-01 -2.477442988e-01 4.60 -4.225333378e-02 -1.369192810e-01 -2.323535094e-01 4.62 -3.818821475e-02 -1.287103396e-01 -2.169219497e-01 4.64 -3.457586886e-02 -1.206317165e-01 -2.015013471e-01 4.66 -3.147512318e-02 -1.126245636e-01 -1.861443268e-01 4.68 -2.883688318e-02 -1.046354322e-01 -1.709048879e-01 4.70 -2.652204966e-02 -9.662111701e-02 -1.558378380e-01 4.72 -2.435952720e-02 -8.855382629e-02 -1.409992011e-01 4.74 -2.218652554e-02 -8.042426631e-02 -1.264461167e-01 4.76 -1.988683120e-02 -7.224287070e-02 -1.122360941e-01 4.78 -1.742329116e-02 -6.402657074e-02 -9.840955004e-02 4.80 -1.481933530e-02 -5.580360523e-02 -8.499058393e-02 4.82 -1.214060075e-02 -4.762999853e-02 -7.200312392e-02 4.84 -9.472092755e-03 -3.957082228e-02 -5.947238135e-02 4.86 -6.894582944e-03 -3.169189518e-02 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