# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Fe # implementation = 2025--Sharifi-H--Cu-Co-Fe--LAMMPS--ipr1 # composition = CoCu3 # 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 2025-07-01 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 8.759473630e+02 nan nan 0.92 7.921802900e+02 nan nan 0.94 7.144450195e+02 nan nan 0.96 6.428903998e+02 nan nan 0.98 5.774569858e+02 8.680998009e+02 nan 1.00 5.179438562e+02 7.933044224e+02 nan 1.02 4.640579290e+02 7.243648473e+02 8.231691031e+02 1.04 4.154501396e+02 6.609842439e+02 7.582726175e+02 1.06 3.716913784e+02 6.027093175e+02 6.982088171e+02 1.08 3.318538698e+02 5.477760921e+02 6.404273335e+02 1.10 2.956309109e+02 4.960689040e+02 5.848981732e+02 1.12 2.628704895e+02 4.478583580e+02 5.322000976e+02 1.14 2.333758138e+02 4.032576607e+02 4.826914441e+02 1.16 2.069237182e+02 3.622647289e+02 4.365633102e+02 1.18 1.832782375e+02 3.247948187e+02 3.938813560e+02 1.20 1.622005045e+02 2.907057916e+02 3.546187438e+02 1.22 1.434557991e+02 2.598175507e+02 3.186819886e+02 1.24 1.268184061e+02 2.319268581e+02 2.859311131e+02 1.26 1.120748179e+02 2.068185059e+02 2.561953054e+02 1.28 9.902568988e+01 1.842736161e+02 2.292849654e+02 1.30 8.748687664e+01 1.640756739e+02 2.050008737e+02 1.32 7.728984454e+01 1.460148240e+02 1.831410817e+02 1.34 6.828142560e+01 1.298908548e+02 1.635060036e+02 1.36 6.032327847e+01 1.155151343e+02 1.459021043e+02 1.38 5.329116237e+01 1.027117409e+02 1.301444628e+02 1.40 4.707405905e+01 9.131799317e+01 1.160584157e+02 1.42 4.157321646e+01 8.118453145e+01 1.034805718e+02 1.44 3.670115721e+01 7.217507282e+01 9.225931858e+01 1.46 3.238068201e+01 6.416593735e+01 8.225494454e+01 1.48 2.854389689e+01 5.704541774e+01 7.333946203e+01 1.50 2.513128608e+01 5.071304952e+01 6.539616948e+01 1.52 2.209083942e+01 4.507882765e+01 5.831912403e+01 1.54 1.937722353e+01 4.006239909e+01 5.201256167e+01 1.56 1.695102589e+01 3.559225741e+01 4.639025520e+01 1.58 1.477806607e+01 3.160495927e+01 4.137484014e+01 1.60 1.282876939e+01 2.804438671e+01 3.689712815e+01 1.62 1.107760199e+01 2.486101641e+01 3.289542899e+01 1.64 9.502577215e+00 2.201116200e+01 2.931489189e+01 1.66 8.084827548e+00 1.945627174e+01 2.610687358e+01 1.68 6.808121384e+00 1.716238064e+01 2.322834210e+01 1.70 5.658306165e+00 1.509962100e+01 2.064131725e+01 1.72 4.622824877e+00 1.324177479e+01 1.831235047e+01 1.74 3.690425777e+00 1.156586694e+01 1.621204575e+01 1.76 2.851017368e+00 1.005179632e+01 1.431461935e+01 1.78 2.095547960e+00 8.682002830e+00 1.259749840e+01 1.80 1.415897281e+00 7.441165499e+00 1.104095682e+01 1.82 8.047789824e-01 6.315897024e+00 9.627786325e+00 1.84 2.556541619e-01 5.294486386e+00 8.343017950e+00 1.86 -2.373474254e-01 4.366692410e+00 7.173649010e+00 1.88 -6.794988385e-01 3.523523169e+00 6.108343406e+00 1.90 -1.075538786e+00 2.757000291e+00 5.137097420e+00 1.92 -1.429727805e+00 2.060012274e+00 4.251036827e+00 1.94 -1.745898478e+00 1.426216648e+00 3.442285638e+00 1.96 -2.027500282e+00 8.499537528e-01 2.703850801e+00 1.98 -2.277639677e+00 3.261700188e-01 2.029519911e+00 2.00 -2.499115910e+00 -1.496500111e-01 1.413770743e+00 2.02 -2.694452990e+00 -5.815347586e-01 8.516912784e-01 2.04 -2.865928275e+00 -9.730290143e-01 3.389088260e-01 2.06 -3.015598006e+00 -1.327291933e+00 -1.284725936e-01 2.08 -3.145317303e+00 -1.647172327e+00 -5.539349777e-01 2.10 -3.256691337e+00 -1.935278616e+00 -9.406484329e-01 2.12 -3.351148860e+00 -2.194027663e+00 -1.291541879e+00 2.14 -3.430038937e+00 -2.425660746e+00 -1.609324563e+00 2.16 -3.494619332e+00 -2.632256477e+00 -1.896503098e+00 2.18 -3.546061618e+00 -2.815742726e+00 -2.155397102e+00 2.20 -3.585456806e+00 -2.977907658e+00 -2.388153619e+00 2.22 -3.613822448e+00 -3.120409948e+00 -2.596760736e+00 2.24 -3.632104014e+00 -3.244792489e+00 -2.783059102e+00 2.26 -3.641174514e+00 -3.352496060e+00 -2.948752169e+00 2.28 -3.641856202e+00 -3.444856690e+00 -3.095419942e+00 2.30 -3.634909489e+00 -3.523111755e+00 -3.224525569e+00 2.32 -3.621041040e+00 -3.588406829e+00 -3.337424251e+00 2.34 -3.600907288e+00 -3.641771745e+00 -3.435325272e+00 2.36 -3.575117723e+00 -3.684116058e+00 -3.519283275e+00 2.38 -3.544237971e+00 -3.716287882e+00 -3.590284727e+00 2.40 -3.508792675e+00 -3.739082291e+00 -3.649258854e+00 2.42 -3.469268185e+00 -3.753244372e+00 -3.697080656e+00 2.44 -3.426115088e+00 -3.759472101e+00 -3.734573779e+00 2.46 -3.379751537e+00 -3.758419057e+00 -3.762513227e+00 2.48 -3.330631315e+00 -3.750696999e+00 -3.781627968e+00 2.50 -3.279181498e+00 -3.736878289e+00 -3.792603388e+00 2.52 -3.225372243e+00 -3.717498183e+00 -3.796083634e+00 2.54 -3.169728834e+00 -3.693057003e+00 -3.792673845e+00 2.56 -3.112531857e+00 -3.664022173e+00 -3.782942252e+00 2.58 -3.054040768e+00 -3.631071414e+00 -3.767426053e+00 2.60 -2.994497734e+00 -3.596620183e+00 -3.746642732e+00 2.62 -2.934125712e+00 -3.557846689e+00 -3.721078605e+00 2.64 -2.873346428e+00 -3.514423046e+00 -3.691187092e+00 2.66 -2.814279950e+00 -3.468361454e+00 -3.657390773e+00 2.68 -2.754383755e+00 -3.419974132e+00 -3.620083308e+00 2.70 -2.692396539e+00 -3.369550329e+00 -3.579631249e+00 2.72 -2.630445636e+00 -3.317357820e+00 -3.536375733e+00 2.74 -2.570415124e+00 -3.263644303e+00 -3.490634080e+00 2.76 -2.525879389e+00 -3.208638715e+00 -3.442701285e+00 2.78 -2.478425434e+00 -3.152552458e+00 -3.392851430e+00 2.80 -2.416367536e+00 -3.095580553e+00 -3.341338999e+00 2.82 -2.354945064e+00 -3.037902725e+00 -3.288400121e+00 2.84 -2.294233509e+00 -2.979684410e+00 -3.234298227e+00 2.86 -2.234300163e+00 -2.921077709e+00 -3.181683345e+00 2.88 -2.175204736e+00 -2.862222274e+00 -3.136181926e+00 2.90 -2.116999939e+00 -2.803246147e+00 -3.081253869e+00 2.92 -2.059732014e+00 -2.744266536e+00 -3.023536778e+00 2.94 -2.003441240e+00 -2.685390551e+00 -2.965519868e+00 2.96 -1.948162402e+00 -2.626715888e+00 -2.907339051e+00 2.98 -1.893925220e+00 -2.568331475e+00 -2.849119449e+00 3.00 -1.840754761e+00 -2.510318070e+00 -2.790976093e+00 3.02 -1.788671814e+00 -2.452871780e+00 -2.733014585e+00 3.04 -1.737693241e+00 -2.397552757e+00 -2.675331717e+00 3.06 -1.687832305e+00 -2.344878334e+00 -2.618016051e+00 3.08 -1.639098977e+00 -2.288900177e+00 -2.561148463e+00 3.10 -1.591500213e+00 -2.233521700e+00 -2.504802654e+00 3.12 -1.545040223e+00 -2.178862654e+00 -2.449045628e+00 3.14 -1.499720713e+00 -2.124960325e+00 -2.393938137e+00 3.16 -1.455541111e+00 -2.071847469e+00 -2.339535107e+00 3.18 -1.412498779e+00 -2.019552652e+00 -2.285886020e+00 3.20 -1.370589207e+00 -1.968100553e+00 -2.233035291e+00 3.22 -1.329806194e+00 -1.917512260e+00 -2.181022604e+00 3.24 -1.290142015e+00 -1.867805540e+00 -2.129883233e+00 3.26 -1.251587577e+00 -1.818995093e+00 -2.079648341e+00 3.28 -1.214132557e+00 -1.771092790e+00 -2.030345255e+00 3.30 -1.177765540e+00 -1.724107894e+00 -1.981997730e+00 3.32 -1.142474133e+00 -1.678047271e+00 -1.934626178e+00 3.34 -1.108245082e+00 -1.632915577e+00 -1.888247899e+00 3.36 -1.075064368e+00 -1.588715448e+00 -1.842877280e+00 3.38 -1.042917302e+00 -1.545447660e+00 -1.798525987e+00 3.40 -1.011788610e+00 -1.503111293e+00 -1.755203132e+00 3.42 -9.816625075e-01 -1.461703876e+00 -1.712915439e+00 3.44 -9.525227687e-01 -1.421221522e+00 -1.671667379e+00 3.46 -9.243527864e-01 -1.381659060e+00 -1.631461304e+00 3.48 -8.971356274e-01 -1.343010151e+00 -1.592354030e+00 3.50 -8.708540784e-01 -1.305267398e+00 -1.555737032e+00 3.52 -8.454906872e-01 -1.268422454e+00 -1.524925506e+00 3.54 -8.210277962e-01 -1.232466114e+00 -1.493843137e+00 3.56 -7.974475704e-01 -1.197388403e+00 -1.458685021e+00 3.58 -7.747320183e-01 -1.163178664e+00 -1.424545598e+00 3.60 -7.528630074e-01 -1.129825632e+00 -1.391414264e+00 3.62 -7.318222725e-01 -1.097317504e+00 -1.359278868e+00 3.64 -7.115914189e-01 -1.065642010e+00 -1.328125739e+00 3.66 -6.921519183e-01 -1.034786468e+00 -1.297939699e+00 3.68 -6.734850995e-01 -1.004737848e+00 -1.268704068e+00 3.70 -6.555721314e-01 -9.754828198e-01 -1.240400668e+00 3.72 -6.383940012e-01 -9.470078021e-01 -1.213009819e+00 3.74 -6.219314853e-01 -9.192990096e-01 -1.186510331e+00 3.76 -6.061651141e-01 -8.923424925e-01 -1.160879495e+00 3.78 -5.910751309e-01 -8.661241757e-01 -1.136093080e+00 3.80 -5.766414449e-01 -8.406298931e-01 -1.112125325e+00 3.82 -5.628435787e-01 -8.158454205e-01 -1.088948944e+00 3.84 -5.496606109e-01 -7.917565048e-01 -1.066535141e+00 3.86 -5.370711147e-01 -7.683488911e-01 -1.044853636e+00 3.88 -5.250530935e-01 -7.456083474e-01 -1.023872712e+00 3.90 -5.135839154e-01 -7.235206873e-01 -1.003559277e+00 3.92 -5.026402479e-01 -7.020717904e-01 -9.838789672e-01 3.94 -4.921979954e-01 -6.812476209e-01 -9.647962632e-01 3.96 -4.822322431e-01 -6.610342443e-01 -9.462746563e-01 3.98 -4.727172095e-01 -6.414178428e-01 -9.282768451e-01 4.00 -4.636262131e-01 -6.223847287e-01 -9.107649768e-01 4.02 -4.550118056e-01 -6.039213567e-01 -8.937009308e-01 4.04 -4.480584134e-01 -5.860143347e-01 -8.770466455e-01 4.06 -4.441992360e-01 -5.686504332e-01 -8.607644854e-01 4.08 -4.281265145e-01 -5.518165938e-01 -8.448176447e-01 4.10 -4.181153430e-01 -5.354999366e-01 -8.291705780e-01 4.12 -4.087463918e-01 -5.196877661e-01 -8.137894503e-01 4.14 -3.994360046e-01 -5.043675770e-01 -7.986425894e-01 4.16 -3.901903446e-01 -4.895270579e-01 -7.837009269e-01 4.18 -3.810174900e-01 -4.751540957e-01 -7.689384086e-01 4.20 -3.719269928e-01 -4.612367777e-01 -7.543323538e-01 4.22 -3.629294195e-01 -4.477633940e-01 -7.398637455e-01 4.24 -3.540358943e-01 -4.347224389e-01 -7.255174329e-01 4.26 -3.452576638e-01 -4.221464702e-01 -7.112822313e-01 4.28 -3.366056996e-01 -4.109381299e-01 -6.971509092e-01 4.30 -3.280903535e-01 -4.033912625e-01 -6.831200594e-01 4.32 -3.197210747e-01 -3.989295516e-01 -6.691898550e-01 4.34 -3.115061940e-01 -3.900353713e-01 -6.553637004e-01 4.36 -3.034527775e-01 -3.798611669e-01 -6.416477928e-01 4.38 -2.955665472e-01 -3.700138572e-01 -6.280506154e-01 4.40 -2.877218604e-01 -3.604843836e-01 -6.145823874e-01 4.42 -2.775345831e-01 -3.512638119e-01 -6.012544969e-01 4.44 -2.556637880e-01 -3.423433283e-01 -5.880789452e-01 4.46 -1.477490118e-01 -3.337142353e-01 -5.750678251e-01 4.48 -1.043078710e-01 -3.253679468e-01 -5.622328571e-01 4.50 -1.012738386e-01 -3.172959839e-01 -5.495849964e-01 4.52 -9.832647143e-02 -3.094899697e-01 -5.371341245e-01 4.54 -9.546334921e-02 -3.019416243e-01 -5.248888268e-01 4.56 -9.268211679e-02 -2.946427603e-01 -5.128562576e-01 4.58 -8.998048245e-02 -2.875852774e-01 -5.010420842e-01 4.60 -8.735621632e-02 -2.807611576e-01 -4.894505022e-01 4.62 -8.480714895e-02 -2.741624611e-01 -4.780843072e-01 4.64 -8.233116973e-02 -2.677813212e-01 -4.669450104e-01 4.66 -7.992622551e-02 -2.616099411e-01 -4.560329828e-01 4.68 -7.759031907e-02 -2.556405901e-01 -4.453476149e-01 4.70 -7.532150777e-02 -2.498656010e-01 -4.348874798e-01 4.72 -7.311790211e-02 -2.442773679e-01 -4.246504902e-01 4.74 -7.097766440e-02 -2.388683454e-01 -4.146340426e-01 4.76 -6.889900742e-02 -2.336310485e-01 -4.048351438e-01 4.78 -6.688019306e-02 -2.285580538e-01 -3.952505176e-01 4.80 -6.491953112e-02 -2.236420020e-01 -3.858766921e-01 4.82 -6.301537799e-02 -2.188756021e-01 -3.767100679e-01 4.84 -6.116613544e-02 -2.142516371e-01 -3.677469699e-01 4.86 -5.937024946e-02 -2.097629714e-01 -3.589836857e-01 4.88 -5.762620900e-02 -2.054025605e-01 -3.504164924e-01 4.90 -5.593254493e-02 -2.011634622e-01 -3.420416759e-01 4.92 -5.415511098e-02 -1.967031661e-01 -3.333812430e-01 4.94 -5.063918246e-02 -1.877077353e-01 -3.182749792e-01 4.96 -4.127865421e-02 -1.618246879e-01 -2.778338631e-01 4.98 -2.159887848e-02 -9.629757559e-02 -1.708061701e-01 5.00 -1.909694538e-23 -7.952713877e-23 -9.280093084e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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