# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--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 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 -4.744146275e+02 nan nan 0.92 -4.430725485e+02 nan nan 0.94 -4.148882838e+02 nan nan 0.96 -3.892404272e+02 nan nan 0.98 -3.653110831e+02 nan nan 1.00 -3.427215221e+02 nan nan 1.02 -3.213819094e+02 -4.223598338e+02 -4.610693334e+02 1.04 -3.012011524e+02 -3.989365726e+02 -4.354116783e+02 1.06 -2.822920279e+02 -3.769492181e+02 -4.113719610e+02 1.08 -2.648390960e+02 -3.564749117e+02 -3.881247798e+02 1.10 -2.487183541e+02 -3.370236784e+02 -3.656335549e+02 1.12 -2.337056917e+02 -3.179863490e+02 -3.441449533e+02 1.14 -2.198653779e+02 -2.992844323e+02 -3.239908771e+02 1.16 -2.072522237e+02 -2.810857997e+02 -3.053009732e+02 1.18 -1.957134464e+02 -2.638227294e+02 -2.880989073e+02 1.20 -1.848367908e+02 -2.480457559e+02 -2.725759715e+02 1.22 -1.742586403e+02 -2.338622900e+02 -2.587493635e+02 1.24 -1.638485371e+02 -2.209604764e+02 -2.461468042e+02 1.26 -1.536313176e+02 -2.091102637e+02 -2.342049320e+02 1.28 -1.437385101e+02 -1.983051208e+02 -2.225447608e+02 1.30 -1.342278493e+02 -1.883682518e+02 -2.111260150e+02 1.32 -1.250277936e+02 -1.789794812e+02 -2.000107308e+02 1.34 -1.161348934e+02 -1.698648490e+02 -1.892201739e+02 1.36 -1.076058352e+02 -1.610339071e+02 -1.788498739e+02 1.38 -9.941718456e+01 -1.526441985e+02 -1.689690540e+02 1.40 -9.150520500e+01 -1.446972415e+02 -1.595421471e+02 1.42 -8.388605109e+01 -1.369725651e+02 -1.505283714e+02 1.44 -7.667541461e+01 -1.292619846e+02 -1.420326285e+02 1.46 -6.984347272e+01 -1.214495939e+02 -1.341508067e+02 1.48 -6.319137276e+01 -1.135314717e+02 -1.267992275e+02 1.50 -5.651704178e+01 -1.056069938e+02 -1.197384576e+02 1.52 -4.979367550e+01 -9.779702873e+01 -1.126825025e+02 1.54 -4.316090996e+01 -9.017327510e+01 -1.055117434e+02 1.56 -3.675706053e+01 -8.269424225e+01 -9.829490830e+01 1.58 -3.062035455e+01 -7.524224652e+01 -9.114783741e+01 1.60 -2.471602057e+01 -6.772441542e+01 -8.412656288e+01 1.62 -1.901127747e+01 -6.017542297e+01 -7.719327055e+01 1.64 -1.353680834e+01 -5.276570225e+01 -7.031373845e+01 1.66 -8.822244673e+00 -4.569004907e+01 -6.352075176e+01 1.68 -5.448834063e+00 -3.904743657e+01 -5.684392111e+01 1.70 -3.114509735e+00 -3.283740254e+01 -5.031053972e+01 1.72 -1.704135867e+00 -2.705901913e+01 -4.394439968e+01 1.74 -9.409947429e-01 -2.173515389e+01 -3.778131615e+01 1.76 -6.069603393e-01 -1.687713794e+01 -3.188709488e+01 1.78 -5.504588817e-01 -1.244080010e+01 -2.630865609e+01 1.80 -6.646004208e-01 -8.453534721e+00 -2.106125849e+01 1.82 -8.759233830e-01 -5.438621612e+00 -1.614321221e+01 1.84 -1.135010170e+00 -3.320613651e+00 -1.157172788e+01 1.86 -1.408272977e+00 -1.910047356e+00 -7.541483602e+00 1.88 -1.675393451e+00 -1.041400047e+00 -4.648085212e+00 1.90 -1.932599206e+00 -5.680935006e-01 -2.713031287e+00 1.92 -2.183646004e+00 -3.690526254e-01 -1.477809219e+00 1.94 -2.425142698e+00 -3.569509116e-01 -7.391625771e-01 1.96 -2.648830356e+00 -4.720620120e-01 -3.505699228e-01 1.98 -2.849428853e+00 -6.700659082e-01 -2.067399829e-01 2.00 -3.027709060e+00 -9.185636216e-01 -2.276318945e-01 2.02 -3.188075191e+00 -1.194438201e+00 -3.564873043e-01 2.04 -3.335038680e+00 -1.482607023e+00 -5.553980711e-01 2.06 -3.470937158e+00 -1.773574565e+00 -8.005776749e-01 2.08 -3.595862306e+00 -2.061000839e+00 -1.076865000e+00 2.10 -3.709000265e+00 -2.339837008e+00 -1.372230840e+00 2.12 -3.809513211e+00 -2.605660099e+00 -1.675559754e+00 2.14 -3.897864583e+00 -2.854582811e+00 -1.975770273e+00 2.16 -3.975030015e+00 -3.083354789e+00 -2.263916734e+00 2.18 -4.041673185e+00 -3.289227910e+00 -2.535199454e+00 2.20 -4.097685592e+00 -3.468733307e+00 -2.789065688e+00 2.22 -4.142892556e+00 -3.620436323e+00 -3.025528722e+00 2.24 -4.177656197e+00 -3.746947799e+00 -3.246499127e+00 2.26 -4.202042432e+00 -3.851506615e+00 -3.453279236e+00 2.28 -4.216035926e+00 -3.936988987e+00 -3.643419182e+00 2.30 -4.219387302e+00 -4.005971891e+00 -3.813235334e+00 2.32 -4.211665334e+00 -4.061558913e+00 -3.959826156e+00 2.34 -4.193731676e+00 -4.107050050e+00 -4.081609937e+00 2.36 -4.166873850e+00 -4.145638397e+00 -4.178965247e+00 2.38 -4.132240984e+00 -4.180083547e+00 -4.254153178e+00 2.40 -4.090574087e+00 -4.211894946e+00 -4.310473669e+00 2.42 -4.042072275e+00 -4.241376343e+00 -4.351475018e+00 2.44 -3.986874671e+00 -4.267832151e+00 -4.380666853e+00 2.46 -3.925246208e+00 -4.289658351e+00 -4.400925697e+00 2.48 -3.857666513e+00 -4.305323186e+00 -4.413577050e+00 2.50 -3.785022154e+00 -4.313766031e+00 -4.419068543e+00 2.52 -3.708318264e+00 -4.314561109e+00 -4.416739702e+00 2.54 -3.628478439e+00 -4.307154765e+00 -4.405822564e+00 2.56 -3.546395319e+00 -4.291024762e+00 -4.386431878e+00 2.58 -3.462715820e+00 -4.265867343e+00 -4.359340950e+00 2.60 -3.378076456e+00 -4.231840301e+00 -4.325723784e+00 2.62 -3.293129240e+00 -4.189369902e+00 -4.286803136e+00 2.64 -3.208323289e+00 -4.139113009e+00 -4.243529678e+00 2.66 -3.123747721e+00 -4.081867113e+00 -4.196859697e+00 2.68 -3.039511330e+00 -4.018369374e+00 -4.147807511e+00 2.70 -2.955741371e+00 -3.949343552e+00 -4.097336403e+00 2.72 -2.872013469e+00 -3.875532316e+00 -4.046198107e+00 2.74 -2.787713871e+00 -3.797698871e+00 -3.994773574e+00 2.76 -2.702230487e+00 -3.716691163e+00 -3.942956677e+00 2.78 -2.615009929e+00 -3.633475516e+00 -3.890154116e+00 2.80 -2.525880511e+00 -3.549158093e+00 -3.835765790e+00 2.82 -2.435072744e+00 -3.464808664e+00 -3.779258238e+00 2.84 -2.343183451e+00 -3.381280219e+00 -3.720140044e+00 2.86 -2.251491293e+00 -3.299118586e+00 -3.658146333e+00 2.88 -2.161402819e+00 -3.218488058e+00 -3.593249078e+00 2.90 -2.073946030e+00 -3.139280538e+00 -3.525598137e+00 2.92 -1.989705398e+00 -3.061359239e+00 -3.455438528e+00 2.94 -1.908835320e+00 -2.984114656e+00 -3.382967869e+00 2.96 -1.831225292e+00 -2.906812391e+00 -3.308406219e+00 2.98 -1.756706556e+00 -2.828983900e+00 -3.232070428e+00 3.00 -1.685123775e+00 -2.750455899e+00 -3.154333704e+00 3.02 -1.616374677e+00 -2.671301340e+00 -3.075373284e+00 3.04 -1.550427148e+00 -2.591759966e+00 -2.995354087e+00 3.06 -1.487292622e+00 -2.512050533e+00 -2.914609179e+00 3.08 -1.426994578e+00 -2.432259605e+00 -2.833531313e+00 3.10 -1.369588464e+00 -2.352406032e+00 -2.752385073e+00 3.12 -1.315094526e+00 -2.272346693e+00 -2.671390292e+00 3.14 -1.263470542e+00 -2.192126529e+00 -2.590630099e+00 3.16 -1.214642162e+00 -2.112071624e+00 -2.509990810e+00 3.18 -1.168549155e+00 -2.032668165e+00 -2.429189211e+00 3.20 -1.125093771e+00 -1.954454365e+00 -2.347994078e+00 3.22 -1.084171319e+00 -1.877924139e+00 -2.266572357e+00 3.24 -1.045675095e+00 -1.803508883e+00 -2.184859556e+00 3.26 -1.009458954e+00 -1.731549064e+00 -2.102810657e+00 3.28 -9.753541149e-01 -1.662270745e+00 -2.020565253e+00 3.30 -9.431966596e-01 -1.595772927e+00 -1.938409742e+00 3.32 -9.128301525e-01 -1.532027789e+00 -1.856723424e+00 3.34 -8.841023863e-01 -1.470896907e+00 -1.775926462e+00 3.36 -8.568606135e-01 -1.412191385e+00 -1.696439834e+00 3.38 -8.309339193e-01 -1.355716925e+00 -1.618612283e+00 3.40 -8.061295859e-01 -1.301320052e+00 -1.542702011e+00 3.42 -7.822477330e-01 -1.248979163e+00 -1.468956336e+00 3.44 -7.591144401e-01 -1.198727571e+00 -1.397616983e+00 3.46 -7.366232153e-01 -1.150624752e+00 -1.328915520e+00 3.48 -7.147189876e-01 -1.104737417e+00 -1.263069726e+00 3.50 -6.933550080e-01 -1.061119373e+00 -1.200280455e+00 3.52 -6.724821338e-01 -1.019796581e+00 -1.140728417e+00 3.54 -6.520489894e-01 -9.807604113e-01 -1.084572186e+00 3.56 -6.320019689e-01 -9.439675947e-01 -1.031945978e+00 3.58 -6.122852201e-01 -9.093443444e-01 -9.829577011e-01 3.60 -5.928408074e-01 -8.767959045e-01 -9.376874153e-01 3.62 -5.736085235e-01 -8.462164550e-01 -8.961856835e-01 3.64 -5.545239607e-01 -8.174912415e-01 -8.584579815e-01 3.66 -5.355125510e-01 -7.905174829e-01 -8.244297050e-01 3.68 -5.164960593e-01 -7.651946821e-01 -7.939819069e-01 3.70 -4.973949733e-01 -7.414154565e-01 -7.669455321e-01 3.72 -4.781498769e-01 -7.190661380e-01 -7.430696358e-01 3.74 -4.587258602e-01 -6.980277123e-01 -7.220586585e-01 3.76 -4.391013352e-01 -6.781762410e-01 -7.035865728e-01 3.78 -4.193021452e-01 -6.593833213e-01 -6.873047218e-01 3.80 -3.993684844e-01 -6.415166571e-01 -6.728519516e-01 3.82 -3.793426558e-01 -6.244401226e-01 -6.598670911e-01 3.84 -3.592693965e-01 -6.080140892e-01 -6.480006442e-01 3.86 -3.391978709e-01 -5.921024224e-01 -6.369355802e-01 3.88 -3.191981930e-01 -5.766261247e-01 -6.264707809e-01 3.90 -2.993484122e-01 -5.615365601e-01 -6.164811578e-01 3.92 -2.797121700e-01 -5.467851370e-01 -6.068775295e-01 3.94 -2.603544603e-01 -5.323304847e-01 -5.976242864e-01 3.96 -2.413455098e-01 -5.181451999e-01 -5.887048247e-01 3.98 -2.227603741e-01 -5.042039782e-01 -5.801027860e-01 4.00 -2.046791433e-01 -4.904825143e-01 -5.717944894e-01 4.02 -1.871865489e-01 -4.769575931e-01 -5.637439371e-01 4.04 -1.703713952e-01 -4.636069170e-01 -5.559008416e-01 4.06 -1.543266124e-01 -4.504093548e-01 -5.482007462e-01 4.08 -1.391504639e-01 -4.373450318e-01 -5.405671084e-01 4.10 -1.249430412e-01 -4.243950245e-01 -5.329137370e-01 4.12 -1.118032645e-01 -4.115416835e-01 -5.251492401e-01 4.14 -9.982731133e-02 -3.987581284e-01 -5.171844619e-01 4.16 -8.910568681e-02 -3.860021716e-01 -5.089318556e-01 4.18 -7.972053658e-02 -3.732313983e-01 -5.003038372e-01 4.20 -7.174319557e-02 -3.604128275e-01 -4.912250445e-01 4.22 -6.523744023e-02 -3.475598184e-01 -4.816874974e-01 4.24 -6.024876103e-02 -3.347017026e-01 -4.717054416e-01 4.26 -5.679166880e-02 -3.218694252e-01 -4.612934573e-01 4.28 -5.477552495e-02 -3.090945658e-01 -4.504656107e-01 4.30 -5.402189413e-02 -2.964099389e-01 -4.392361743e-01 4.32 -5.431836815e-02 -2.838490074e-01 -4.276192161e-01 4.34 -5.542328221e-02 -2.714457191e-01 -4.156286395e-01 4.36 -5.707303136e-02 -2.592342835e-01 -4.032783906e-01 4.38 -5.899327108e-02 -2.472486638e-01 -3.905822612e-01 4.40 -6.091492026e-02 -2.355221047e-01 -3.775540352e-01 4.42 -6.259105632e-02 -2.240862846e-01 -3.642073283e-01 4.44 -6.378695619e-02 -2.129706381e-01 -3.505556669e-01 4.46 -6.416652448e-02 -2.022013974e-01 -3.366126578e-01 4.48 -6.349597912e-02 -1.918001137e-01 -3.223917446e-01 4.50 -6.170923064e-02 -1.817829296e-01 -3.079064478e-01 4.52 -5.888663503e-02 -1.721554646e-01 -2.931700957e-01 4.54 -5.523477097e-02 -1.628918606e-01 -2.782017019e-01 4.56 -5.104089339e-02 -1.539588503e-01 -2.630436062e-01 4.58 -4.661639321e-02 -1.453172009e-01 -2.477442838e-01 4.60 -4.225335706e-02 -1.369192861e-01 -2.323535152e-01 4.62 -3.818827476e-02 -1.287103922e-01 -2.169220024e-01 4.64 -3.457584178e-02 -1.206317290e-01 -2.015013382e-01 4.66 -3.147507200e-02 -1.126245643e-01 -1.861442941e-01 4.68 -2.883682057e-02 -1.046354167e-01 -1.709048203e-01 4.70 -2.652201792e-02 -9.662110334e-02 -1.558378045e-01 4.72 -2.435952547e-02 -8.855380493e-02 -1.409992012e-01 4.74 -2.218651999e-02 -8.042430918e-02 -1.264461427e-01 4.76 -1.988682059e-02 -7.224283249e-02 -1.122361033e-01 4.78 -1.742329805e-02 -6.402661513e-02 -9.840957243e-02 4.80 -1.481929348e-02 -5.580354744e-02 -8.499053292e-02 4.82 -1.214058603e-02 -4.762995259e-02 -7.200307199e-02 4.84 -9.472067512e-03 -3.957079393e-02 -5.947237157e-02 4.86 -6.894570710e-03 -3.169186979e-02 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