# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--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 2024-11-27 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 -4.148484771e+02 nan nan 0.96 -3.892326965e+02 nan nan 0.98 -3.652511840e+02 nan nan 1.00 -3.426899531e+02 nan nan 1.02 -3.213590607e+02 nan nan 1.04 -3.011528510e+02 -3.988107109e+02 nan 1.06 -2.821943102e+02 -3.768870371e+02 -4.113257818e+02 1.08 -2.648366505e+02 -3.564249242e+02 -3.881247599e+02 1.10 -2.486415073e+02 -3.369921837e+02 -3.656193970e+02 1.12 -2.336994210e+02 -3.179398595e+02 -3.441129413e+02 1.14 -2.197607092e+02 -2.991046946e+02 -3.239346588e+02 1.16 -2.072511660e+02 -2.810295488e+02 -3.052891498e+02 1.18 -1.956726324e+02 -2.637854683e+02 -2.880734395e+02 1.20 -1.848258322e+02 -2.479529063e+02 -2.724716639e+02 1.22 -1.741968825e+02 -2.337953110e+02 -2.587327683e+02 1.24 -1.638366232e+02 -2.209427847e+02 -2.460989742e+02 1.26 -1.536304604e+02 -2.089611600e+02 -2.341946106e+02 1.28 -1.437013744e+02 -1.983023848e+02 -2.225408811e+02 1.30 -1.341913618e+02 -1.883682528e+02 -2.110668594e+02 1.32 -1.250192102e+02 -1.789764073e+02 -2.000022384e+02 1.34 -1.160661652e+02 -1.697994291e+02 -1.891607788e+02 1.36 -1.075871812e+02 -1.610274337e+02 -1.788027953e+02 1.38 -9.941718572e+01 -1.525754847e+02 -1.689676175e+02 1.40 -9.150431931e+01 -1.446971135e+02 -1.595150640e+02 1.42 -8.386644984e+01 -1.369600607e+02 -1.505261999e+02 1.44 -7.663671968e+01 -1.291658659e+02 -1.419937759e+02 1.46 -6.984337232e+01 -1.214494584e+02 -1.341506003e+02 1.48 -6.318784008e+01 -1.135269557e+02 -1.267924539e+02 1.50 -5.650345304e+01 -1.055961301e+02 -1.197267191e+02 1.52 -4.971606788e+01 -9.779698525e+01 -1.126731061e+02 1.54 -4.316090959e+01 -9.016634204e+01 -1.054440767e+02 1.56 -3.675706108e+01 -8.264498401e+01 -9.829490832e+01 1.58 -3.062035441e+01 -7.519619422e+01 -9.114783809e+01 1.60 -2.471096732e+01 -6.772391768e+01 -8.412656201e+01 1.62 -1.896946761e+01 -6.016341908e+01 -7.719200740e+01 1.64 -1.351776245e+01 -5.271138322e+01 -7.028172374e+01 1.66 -8.808875625e+00 -4.569004751e+01 -6.337445085e+01 1.68 -5.448827709e+00 -3.904739624e+01 -5.684388537e+01 1.70 -3.113909989e+00 -3.283108764e+01 -5.030520426e+01 1.72 -1.701845250e+00 -2.701551055e+01 -4.391259599e+01 1.74 -9.401024533e-01 -2.169086407e+01 -3.778131536e+01 1.76 -6.039695932e-01 -1.687713597e+01 -3.188678656e+01 1.78 -5.511488967e-01 -1.244079466e+01 -2.630053148e+01 1.80 -6.662924944e-01 -8.451940431e+00 -2.102381240e+01 1.82 -8.759233449e-01 -5.430674370e+00 -1.614321193e+01 1.84 -1.135010188e+00 -3.320613234e+00 -1.157169971e+01 1.86 -1.408273028e+00 -1.910047262e+00 -7.538020609e+00 1.88 -1.675393408e+00 -1.041400305e+00 -4.632331141e+00 1.90 -1.932609962e+00 -5.680934482e-01 -2.713031907e+00 1.92 -2.183791105e+00 -3.690526312e-01 -1.477809563e+00 1.94 -2.426006719e+00 -3.569492063e-01 -7.391502857e-01 1.96 -2.650053464e+00 -4.720406682e-01 -3.496804163e-01 1.98 -2.849604673e+00 -6.706412683e-01 -2.034477233e-01 2.00 -3.027893300e+00 -9.197165766e-01 -2.251156984e-01 2.02 -3.188075160e+00 -1.194438155e+00 -3.564871260e-01 2.04 -3.335038658e+00 -1.482607178e+00 -5.553981159e-01 2.06 -3.470941829e+00 -1.773579441e+00 -8.005775544e-01 2.08 -3.596084648e+00 -2.061219204e+00 -1.076882210e+00 2.10 -3.710237982e+00 -2.340981031e+00 -1.372400359e+00 2.12 -3.813355535e+00 -2.609063599e+00 -1.676207627e+00 2.14 -3.897959884e+00 -2.854582711e+00 -1.975770313e+00 2.16 -3.975824743e+00 -3.083354747e+00 -2.263916790e+00 2.18 -4.044818450e+00 -3.289227942e+00 -2.535199340e+00 2.20 -4.099522513e+00 -3.468733282e+00 -2.789071581e+00 2.22 -4.148459882e+00 -3.620436361e+00 -3.026029366e+00 2.24 -4.177656196e+00 -3.746947745e+00 -3.249738942e+00 2.26 -4.202042430e+00 -3.851534847e+00 -3.464317193e+00 2.28 -4.216035931e+00 -3.937557463e+00 -3.643419193e+00 2.30 -4.219387303e+00 -4.008595488e+00 -3.813235314e+00 2.32 -4.211665336e+00 -4.069061356e+00 -3.959826150e+00 2.34 -4.193731671e+00 -4.107795597e+00 -4.081609940e+00 2.36 -4.166873850e+00 -4.148827553e+00 -4.178965252e+00 2.38 -4.132240987e+00 -4.188725101e+00 -4.254161415e+00 2.40 -4.090574078e+00 -4.211894946e+00 -4.310674022e+00 2.42 -4.042072283e+00 -4.241376342e+00 -4.352389498e+00 2.44 -3.986874682e+00 -4.267832156e+00 -4.383162457e+00 2.46 -3.925246222e+00 -4.289658350e+00 -4.400925694e+00 2.48 -3.857666935e+00 -4.305323188e+00 -4.413577052e+00 2.50 -3.785066615e+00 -4.313766028e+00 -4.419068541e+00 2.52 -3.708564924e+00 -4.314562450e+00 -4.416739701e+00 2.54 -3.629199059e+00 -4.307231953e+00 -4.405822568e+00 2.56 -3.546548547e+00 -4.291421893e+00 -4.386431878e+00 2.58 -3.463514717e+00 -4.266987429e+00 -4.359340944e+00 2.60 -3.380365664e+00 -4.231840299e+00 -4.325725109e+00 2.62 -3.293160384e+00 -4.189369910e+00 -4.287016252e+00 2.64 -3.208508812e+00 -4.139113010e+00 -4.244789642e+00 2.66 -3.124307295e+00 -4.081867129e+00 -4.200641532e+00 2.68 -3.040753007e+00 -4.018369351e+00 -4.156182563e+00 2.70 -2.955741373e+00 -3.949343545e+00 -4.097336404e+00 2.72 -2.872013498e+00 -3.875532327e+00 -4.046198110e+00 2.74 -2.787713868e+00 -3.797698857e+00 -3.994773592e+00 2.76 -2.702230503e+00 -3.716691171e+00 -3.942956677e+00 2.78 -2.615009960e+00 -3.633475497e+00 -3.890154126e+00 2.80 -2.525880528e+00 -3.549158062e+00 -3.835765790e+00 2.82 -2.435072771e+00 -3.464808661e+00 -3.779258262e+00 2.84 -2.343183432e+00 -3.381280219e+00 -3.720140058e+00 2.86 -2.251491260e+00 -3.299118586e+00 -3.658146326e+00 2.88 -2.161402829e+00 -3.218488041e+00 -3.593249069e+00 2.90 -2.073946019e+00 -3.139280495e+00 -3.525598126e+00 2.92 -1.989714440e+00 -3.061374695e+00 -3.455461701e+00 2.94 -1.908916272e+00 -2.984256573e+00 -3.383181360e+00 2.96 -1.831500428e+00 -2.907305797e+00 -3.309157125e+00 2.98 -1.757344070e+00 -2.830153732e+00 -3.233884393e+00 3.00 -1.685475371e+00 -2.751509584e+00 -3.155774253e+00 3.02 -1.616374647e+00 -2.671301299e+00 -3.075373277e+00 3.04 -1.550427180e+00 -2.591764372e+00 -2.995354085e+00 3.06 -1.487292580e+00 -2.512188440e+00 -2.914609174e+00 3.08 -1.426994570e+00 -2.432891367e+00 -2.833531281e+00 3.10 -1.369588474e+00 -2.354074304e+00 -2.752385039e+00 3.12 -1.315096002e+00 -2.275704144e+00 -2.671390297e+00 3.14 -1.263477028e+00 -2.192126524e+00 -2.590630106e+00 3.16 -1.214638052e+00 -2.112071633e+00 -2.509990781e+00 3.18 -1.168473035e+00 -2.032668181e+00 -2.429189248e+00 3.20 -1.124811886e+00 -1.954454348e+00 -2.347994131e+00 3.22 -1.084171329e+00 -1.877924139e+00 -2.266572337e+00 3.24 -1.045683621e+00 -1.803508882e+00 -2.184859564e+00 3.26 -1.009524309e+00 -1.731548991e+00 -2.102810661e+00 3.28 -9.755721766e-01 -1.662270688e+00 -2.020565213e+00 3.30 -9.437115615e-01 -1.595772929e+00 -1.938409758e+00 3.32 -9.138345784e-01 -1.532027836e+00 -1.856723435e+00 3.34 -8.841024115e-01 -1.470896910e+00 -1.775926479e+00 3.36 -8.568611120e-01 -1.412191403e+00 -1.696441514e+00 3.38 -8.309499420e-01 -1.355716929e+00 -1.618660317e+00 3.40 -8.062062329e-01 -1.301319997e+00 -1.542911204e+00 3.42 -7.824609995e-01 -1.248979131e+00 -1.469482539e+00 3.44 -7.595712022e-01 -1.198727525e+00 -1.398627892e+00 3.46 -7.374612466e-01 -1.150624738e+00 -1.330564827e+00 3.48 -7.147189865e-01 -1.104737407e+00 -1.263069746e+00 3.50 -6.933550121e-01 -1.061119367e+00 -1.200280457e+00 3.52 -6.724821305e-01 -1.019796592e+00 -1.140728413e+00 3.54 -6.520490383e-01 -9.807604151e-01 -1.084572171e+00 3.56 -6.320019766e-01 -9.439676073e-01 -1.031945988e+00 3.58 -6.122852272e-01 -9.093465628e-01 -9.829576898e-01 3.60 -5.928407932e-01 -8.768038667e-01 -9.376874307e-01 3.62 -5.736085022e-01 -8.462276967e-01 -8.961856762e-01 3.64 -5.545239233e-01 -8.174904362e-01 -8.584578873e-01 3.66 -5.355125443e-01 -7.904701626e-01 -8.244297088e-01 3.68 -5.164960728e-01 -7.651947167e-01 -7.939819124e-01 3.70 -4.973949571e-01 -7.414154334e-01 -7.669455067e-01 3.72 -4.781499348e-01 -7.190661328e-01 -7.430696096e-01 3.74 -4.587258794e-01 -6.980277131e-01 -7.220586594e-01 3.76 -4.391013445e-01 -6.781762292e-01 -7.035865430e-01 3.78 -4.193021344e-01 -6.593833562e-01 -6.873047173e-01 3.80 -3.993684869e-01 -6.415166333e-01 -6.728519605e-01 3.82 -3.793426831e-01 -6.244400990e-01 -6.598670561e-01 3.84 -3.592694028e-01 -6.080140806e-01 -6.480006139e-01 3.86 -3.391978521e-01 -5.921023960e-01 -6.369355873e-01 3.88 -3.191982186e-01 -5.766261360e-01 -6.264708039e-01 3.90 -2.993483842e-01 -5.615365894e-01 -6.164811651e-01 3.92 -2.797121339e-01 -5.467851227e-01 -6.068775074e-01 3.94 -2.603544569e-01 -5.323305397e-01 -5.976243409e-01 3.96 -2.413454937e-01 -5.181451977e-01 -5.887048309e-01 3.98 -2.227603301e-01 -5.042039394e-01 -5.801027405e-01 4.00 -2.046791736e-01 -4.904825275e-01 -5.717945007e-01 4.02 -1.871865599e-01 -4.769575934e-01 -5.637439545e-01 4.04 -1.703713512e-01 -4.636068737e-01 -5.559007974e-01 4.06 -1.543266298e-01 -4.504093858e-01 -5.482008123e-01 4.08 -1.391504896e-01 -4.373450094e-01 -5.405670680e-01 4.10 -1.249429759e-01 -4.243950356e-01 -5.329137260e-01 4.12 -1.118032921e-01 -4.115416625e-01 -5.251485958e-01 4.14 -9.982727766e-02 -3.987581273e-01 -5.171769972e-01 4.16 -8.910571417e-02 -3.860021888e-01 -5.089027283e-01 4.18 -7.972050514e-02 -3.732313890e-01 -5.002277963e-01 4.20 -7.174311959e-02 -3.604128371e-01 -4.910652451e-01 4.22 -6.523739839e-02 -3.475597575e-01 -4.813934554e-01 4.24 -6.024877793e-02 -3.347017050e-01 -4.712112911e-01 4.26 -5.679171147e-02 -3.218694517e-01 -4.612934871e-01 4.28 -5.477558849e-02 -3.090945581e-01 -4.504655924e-01 4.30 -5.402189924e-02 -2.964099460e-01 -4.392361937e-01 4.32 -5.431835225e-02 -2.838489986e-01 -4.276192306e-01 4.34 -5.542330394e-02 -2.714457220e-01 -4.156286330e-01 4.36 -5.707298217e-02 -2.592343070e-01 -4.032784034e-01 4.38 -5.899333099e-02 -2.472487220e-01 -3.905823206e-01 4.40 -6.091492196e-02 -2.355221088e-01 -3.775540426e-01 4.42 -6.259104960e-02 -2.240862950e-01 -3.642073337e-01 4.44 -6.378697992e-02 -2.129706575e-01 -3.505556755e-01 4.46 -6.416659435e-02 -2.022013917e-01 -3.366126907e-01 4.48 -6.349597237e-02 -1.918001023e-01 -3.223917369e-01 4.50 -6.170925968e-02 -1.817828899e-01 -3.079064398e-01 4.52 -5.888662196e-02 -1.721554042e-01 -2.931700368e-01 4.54 -5.523479699e-02 -1.628919082e-01 -2.782017467e-01 4.56 -5.104087507e-02 -1.539588489e-01 -2.630436099e-01 4.58 -4.661639207e-02 -1.453172331e-01 -2.477443307e-01 4.60 -4.225333473e-02 -1.369192927e-01 -2.323535429e-01 4.62 -3.818826902e-02 -1.287103692e-01 -2.169219900e-01 4.64 -3.457583939e-02 -1.206317243e-01 -2.015013446e-01 4.66 -3.147511169e-02 -1.126245584e-01 -1.861443170e-01 4.68 -2.883688189e-02 -1.046354557e-01 -1.709048645e-01 4.70 -2.652200739e-02 -9.662111663e-02 -1.558378261e-01 4.72 -2.435957994e-02 -8.855380670e-02 -1.409992224e-01 4.74 -2.218654165e-02 -8.042432400e-02 -1.264461726e-01 4.76 -1.987991648e-02 -7.224283992e-02 -1.122360372e-01 4.78 -1.737283353e-02 -6.402663235e-02 -9.840960071e-02 4.80 -1.465359276e-02 -5.580357015e-02 -8.499051438e-02 4.82 -1.175231693e-02 -4.762995459e-02 -7.200310032e-02 4.84 -8.717899589e-03 -3.957081538e-02 -5.947237304e-02 4.86 -5.594361061e-03 -3.169189679e-02 -4.742450063e-02 4.88 -2.403647292e-03 -2.405583134e-02 -3.588634866e-02 4.90 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