# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--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 -2.339455421e+02 nan nan 0.92 -2.245120221e+02 nan nan 0.94 -2.160537920e+02 nan nan 0.96 -2.082177798e+02 nan nan 0.98 -2.004304215e+02 nan nan 1.00 -1.925404491e+02 nan nan 1.02 -1.846553313e+02 -2.188228002e+02 -2.320522353e+02 1.04 -1.768157669e+02 -2.117628710e+02 -2.245251280e+02 1.06 -1.692530731e+02 -2.049646146e+02 -2.171447077e+02 1.08 -1.622686918e+02 -1.986018221e+02 -2.092167997e+02 1.10 -1.558274116e+02 -1.922467798e+02 -2.008360542e+02 1.12 -1.497697451e+02 -1.853524094e+02 -1.923803661e+02 1.14 -1.442103597e+02 -1.779023129e+02 -1.843128665e+02 1.16 -1.392426575e+02 -1.701264547e+02 -1.768937403e+02 1.18 -1.347492347e+02 -1.625192065e+02 -1.702404613e+02 1.20 -1.303482843e+02 -1.556931952e+02 -1.645792676e+02 1.22 -1.257061426e+02 -1.498179253e+02 -1.599567353e+02 1.24 -1.207223044e+02 -1.446405975e+02 -1.559299626e+02 1.26 -1.154515578e+02 -1.399668625e+02 -1.519649671e+02 1.28 -1.100553842e+02 -1.358150537e+02 -1.477121399e+02 1.30 -1.046214700e+02 -1.320331814e+02 -1.431605840e+02 1.32 -9.910822584e+01 -1.283258758e+02 -1.384017132e+02 1.34 -9.354177548e+01 -1.244439836e+02 -1.334861717e+02 1.36 -8.800384667e+01 -1.204218631e+02 -1.285388673e+02 1.38 -8.249306930e+01 -1.164418622e+02 -1.236584006e+02 1.40 -7.696771846e+01 -1.125303062e+02 -1.188385833e+02 1.42 -7.146596077e+01 -1.084912457e+02 -1.140679466e+02 1.44 -6.612549941e+01 -1.041373037e+02 -1.094763438e+02 1.46 -6.093848833e+01 -9.937078029e+01 -1.051775725e+02 1.48 -5.572583562e+01 -9.420590416e+01 -1.011052211e+02 1.50 -5.030174584e+01 -8.876020421e+01 -9.703712745e+01 1.52 -4.465538538e+01 -8.317269905e+01 -9.270456412e+01 1.54 -3.894236182e+01 -7.753323982e+01 -8.800518194e+01 1.56 -3.331696130e+01 -7.181848650e+01 -8.302497708e+01 1.58 -2.783338323e+01 -6.592890806e+01 -7.789705988e+01 1.60 -2.247282610e+01 -5.978978236e+01 -7.269473023e+01 1.62 -1.721848110e+01 -5.345393520e+01 -6.739744313e+01 1.64 -1.211685433e+01 -4.710954570e+01 -6.198763705e+01 1.66 -7.742854825e+00 -4.096562960e+01 -5.650946844e+01 1.68 -4.633960105e+00 -3.513356273e+01 -5.100119466e+01 1.70 -2.500482816e+00 -2.962527227e+01 -4.549873344e+01 1.72 -1.241011479e+00 -2.445221784e+01 -4.003450019e+01 1.74 -5.905539116e-01 -1.964956635e+01 -3.465293484e+01 1.76 -3.408977287e-01 -1.523805305e+01 -2.942846753e+01 1.78 -3.486104186e-01 -1.117945762e+01 -2.441664237e+01 1.80 -5.137206129e-01 -7.522509639e+00 -1.964134182e+01 1.82 -7.663541093e-01 -4.781802563e+00 -1.510950123e+01 1.84 -1.058306958e+00 -2.872226913e+00 -1.084695487e+01 1.86 -1.357048432e+00 -1.616879192e+00 -7.067279237e+00 1.88 -1.643249018e+00 -8.605822286e-01 -4.359247268e+00 1.90 -1.914083423e+00 -4.653513381e-01 -2.550668659e+00 1.92 -2.174232394e+00 -3.173567210e-01 -1.396847123e+00 1.94 -2.421217469e+00 -3.355602783e-01 -7.059102460e-01 1.96 -2.647694082e+00 -4.659032392e-01 -3.410537157e-01 1.98 -2.849296466e+00 -6.693507572e-01 -2.056400210e-01 2.00 -3.027709061e+00 -9.185636272e-01 -2.276319009e-01 2.02 -3.188075191e+00 -1.194438201e+00 -3.564873042e-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 -1.975770272e+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 -8.841023862e-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 -6.080140891e-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 -6.523744022e-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 -6.259105631e-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 -3.223917445e-01 4.50 -6.170923064e-02 -1.817829296e-01 -3.079064478e-01 4.52 -5.888663503e-02 -1.721554645e-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 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