# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = CuFe3 # 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 2026-06-16 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 4.934619793e+02 nan nan 0.80 4.632520231e+02 nan nan 0.82 4.348439787e+02 nan nan 0.84 4.081296021e+02 4.521259107e+02 nan 0.86 3.830053586e+02 4.256404027e+02 4.751377215e+02 0.88 3.593707706e+02 4.006542506e+02 4.491646903e+02 0.90 3.371265882e+02 3.770835267e+02 4.244982011e+02 0.92 3.161732321e+02 3.548490017e+02 4.010536058e+02 0.94 2.964101053e+02 3.338758802e+02 3.787499601e+02 0.96 2.777362948e+02 3.140935521e+02 3.575107688e+02 0.98 2.600528736e+02 2.954353568e+02 3.372648459e+02 1.00 2.432665527e+02 2.778383612e+02 3.179471908e+02 1.02 2.272939931e+02 2.612431472e+02 2.994997673e+02 1.04 2.120658143e+02 2.455936074e+02 2.818720686e+02 1.06 1.975293352e+02 2.308367381e+02 2.650213720e+02 1.08 1.836493626e+02 2.169224148e+02 2.489126153e+02 1.10 1.704068110e+02 2.038031265e+02 2.335178741e+02 1.12 1.577954549e+02 1.914336397e+02 2.188154700e+02 1.14 1.458175090e+02 1.797705714e+02 2.047887844e+02 1.16 1.344788989e+02 1.687718713e+02 1.914248899e+02 1.18 1.237850134e+02 1.583962587e+02 1.787131283e+02 1.20 1.137374756e+02 1.486027045e+02 1.666437600e+02 1.22 1.043321593e+02 1.393500915e+02 1.552067914e+02 1.24 9.555840071e+01 1.305971931e+02 1.443910519e+02 1.26 8.739917197e+01 1.223030847e+02 1.341835568e+02 1.28 7.983190903e+01 1.144280239e+02 1.245691546e+02 1.30 7.282969341e+01 1.069347341e+02 1.155304314e+02 1.32 6.636254360e+01 9.978991259e+01 1.070478243e+02 1.34 6.039864652e+01 9.296569041e+01 9.909988857e+01 1.36 5.490542980e+01 8.644073545e+01 9.166366259e+01 1.38 4.985043116e+01 8.020072619e+01 8.471508063e+01 1.40 4.520195997e+01 7.423804116e+01 7.822939349e+01 1.42 4.092956849e+01 6.855067695e+01 7.218156680e+01 1.44 3.700436178e+01 6.314057812e+01 6.654663761e+01 1.46 3.339917818e+01 5.801168152e+01 6.130001835e+01 1.48 3.008867078e+01 5.316800989e+01 5.641774431e+01 1.50 2.704931653e+01 4.861209574e+01 5.187666548e+01 1.52 2.425937476e+01 4.434390417e+01 4.765458721e+01 1.54 2.169881238e+01 4.036029775e+01 4.373036560e+01 1.56 1.934920860e+01 3.665498275e+01 4.008396459e+01 1.58 1.719364901e+01 3.321881524e+01 3.669648162e+01 1.60 1.521661555e+01 3.004032705e+01 3.355014829e+01 1.62 1.340387713e+01 2.710634562e+01 3.062831202e+01 1.64 1.174238401e+01 2.440261142e+01 2.791540332e+01 1.66 1.022016763e+01 2.191433181e+01 2.539689323e+01 1.68 8.826247141e+00 1.962663945e+01 2.305924407e+01 1.70 7.550542862e+00 1.752494668e+01 2.088985613e+01 1.72 6.383796946e+00 1.559520124e+01 1.887701269e+01 1.74 5.317500877e+00 1.382405648e+01 1.700982454e+01 1.76 4.343829548e+00 1.219897236e+01 1.527817548e+01 1.78 3.455581436e+00 1.070826308e+01 1.367266941e+01 1.80 2.646124423e+00 9.341105736e+00 1.218457973e+01 1.82 1.909346742e+00 8.087521806e+00 1.080580123e+01 1.84 1.239612609e+00 6.938340829e+00 9.528804800e+00 1.86 6.317220566e-01 5.885153344e+00 8.346595049e+00 1.88 8.087457318e-02 4.920258286e+00 7.252670678e+00 1.90 -4.173638483e-01 4.036608435e+00 6.240987725e+00 1.92 -8.670906019e-01 3.227756371e+00 5.305925457e+00 1.94 -1.272093611e+00 2.487802532e+00 4.442254847e+00 1.96 -1.635876014e+00 1.811346280e+00 3.645109430e+00 1.98 -1.961678631e+00 1.193440489e+00 2.909958454e+00 2.00 -2.252500456e+00 6.295498216e-01 2.232582092e+00 2.02 -2.511117362e+00 1.155127115e-01 1.609048639e+00 2.04 -2.740099200e+00 -3.524932291e-01 1.035693479e+00 2.06 -2.941825458e+00 -7.782023826e-01 5.090997378e-01 2.08 -3.118499605e+00 -1.166161789e+00 2.608043639e-02 2.10 -3.272162269e+00 -1.516724189e+00 -4.163379353e-01 2.12 -3.404703333e+00 -1.832972288e+00 -8.209305701e-01 2.14 -3.517873071e+00 -2.118203590e+00 -1.190288313e+00 2.16 -3.613292401e+00 -2.374760391e+00 -1.526830549e+00 2.18 -3.692765017e+00 -2.604808253e+00 -1.832817106e+00 2.20 -3.762885913e+00 -2.810350899e+00 -2.110359248e+00 2.22 -3.824263601e+00 -2.993243664e+00 -2.361429839e+00 2.24 -3.861845195e+00 -3.155205622e+00 -2.587872741e+00 2.26 -3.888192848e+00 -3.297830580e+00 -2.791420346e+00 2.28 -3.904323825e+00 -3.422597018e+00 -2.974757929e+00 2.30 -3.911179039e+00 -3.530877122e+00 -3.143074192e+00 2.32 -3.909628515e+00 -3.623944991e+00 -3.289233640e+00 2.34 -3.900476456e+00 -3.702984105e+00 -3.415926963e+00 2.36 -3.884465942e+00 -3.769094148e+00 -3.526809429e+00 2.38 -3.862283293e+00 -3.823297223e+00 -3.623032157e+00 2.40 -3.834562120e+00 -3.866543558e+00 -3.705671654e+00 2.42 -3.801887086e+00 -3.899716717e+00 -3.775734625e+00 2.44 -3.764797407e+00 -3.923638399e+00 -3.834162456e+00 2.46 -3.723790096e+00 -3.939072834e+00 -3.881835385e+00 2.48 -3.679322991e+00 -3.946730841e+00 -3.919576400e+00 2.50 -3.631817557e+00 -3.947273563e+00 -3.948154870e+00 2.52 -3.581661506e+00 -3.941315914e+00 -3.968289937e+00 2.54 -3.529211223e+00 -3.929429762e+00 -3.980653684e+00 2.56 -3.474794027e+00 -3.912146881e+00 -3.985874099e+00 2.58 -3.418710279e+00 -3.889961679e+00 -3.984537840e+00 2.60 -3.361235334e+00 -3.863333724e+00 -3.977192824e+00 2.62 -3.302621365e+00 -3.832690100e+00 -3.964350655e+00 2.64 -3.243099057e+00 -3.798427579e+00 -3.946488889e+00 2.66 -3.182879186e+00 -3.760914655e+00 -3.924053156e+00 2.68 -3.122154082e+00 -3.720493429e+00 -3.897459157e+00 2.70 -3.061099000e+00 -3.677481362e+00 -3.867094525e+00 2.72 -2.999873385e+00 -3.632172917e+00 -3.833320573e+00 2.74 -2.938622058e+00 -3.584841077e+00 -3.796473936e+00 2.76 -2.877476313e+00 -3.535738776e+00 -3.756868107e+00 2.78 -2.816554942e+00 -3.485100220e+00 -3.714788494e+00 2.80 -2.755965184e+00 -3.433142133e+00 -3.670450227e+00 2.82 -2.695803611e+00 -3.380064911e+00 -3.624056047e+00 2.84 -2.636156948e+00 -3.326053706e+00 -3.576096472e+00 2.86 -2.577102843e+00 -3.271279441e+00 -3.526694147e+00 2.88 -2.518710569e+00 -3.215899751e+00 -3.476002521e+00 2.90 -2.461041692e+00 -3.160059874e+00 -3.424208861e+00 2.92 -2.404150682e+00 -3.103893474e+00 -3.371486650e+00 2.94 -2.348085477e+00 -3.047523422e+00 -3.317996457e+00 2.96 -2.292888020e+00 -2.991062516e+00 -3.263886756e+00 2.98 -2.238594743e+00 -2.934614166e+00 -3.209294693e+00 3.00 -2.185237025e+00 -2.878273024e+00 -3.154346814e+00 3.02 -2.132841615e+00 -2.822125585e+00 -3.099159738e+00 3.04 -2.081431017e+00 -2.766250739e+00 -3.043840801e+00 3.06 -2.031023860e+00 -2.710720299e+00 -2.988488649e+00 3.08 -1.981635226e+00 -2.655599484e+00 -2.933193808e+00 3.10 -1.933276966e+00 -2.600947383e+00 -2.878039209e+00 3.12 -1.885957981e+00 -2.546817378e+00 -2.823100688e+00 3.14 -1.839684490e+00 -2.493257546e+00 -2.768447451e+00 3.16 -1.794460275e+00 -2.440311037e+00 -2.714142515e+00 3.18 -1.750286899e+00 -2.388016427e+00 -2.660243122e+00 3.20 -1.706742806e+00 -2.336408040e+00 -2.606801122e+00 3.22 -1.654455069e+00 -2.285516261e+00 -2.553863340e+00 3.24 -1.567909823e+00 -2.235367825e+00 -2.501471921e+00 3.26 -1.449053765e+00 -2.185986081e+00 -2.449664642e+00 3.28 -1.407666706e+00 -2.137391248e+00 -2.398475221e+00 3.30 -1.377898327e+00 -2.089600647e+00 -2.347933600e+00 3.32 -1.348878029e+00 -2.042628925e+00 -2.298066203e+00 3.34 -1.320598653e+00 -1.996488254e+00 -2.248896194e+00 3.36 -1.293052235e+00 -1.951188527e+00 -2.200443705e+00 3.38 -1.266230047e+00 -1.906737292e+00 -2.152726058e+00 3.40 -1.240122634e+00 -1.861602067e+00 -2.105757968e+00 3.42 -1.214719843e+00 -1.801547001e+00 -2.059551737e+00 3.44 -1.190010849e+00 -1.696873773e+00 -2.014117436e+00 3.46 -1.165984168e+00 -1.555830096e+00 -1.969463073e+00 3.48 -1.142627675e+00 -1.514246278e+00 -1.925594750e+00 3.50 -1.119629554e+00 -1.480522808e+00 -1.882516813e+00 3.52 -1.082102126e+00 -1.447528461e+00 -1.840231991e+00 3.54 -9.651851191e-01 -1.415260318e+00 -1.798741526e+00 3.56 -6.512874138e-01 -1.383714614e+00 -1.758045294e+00 3.58 -3.459207839e-01 -1.352886807e+00 -1.718141919e+00 3.60 -3.359118723e-01 -1.322771632e+00 -1.679028879e+00 3.62 -3.261654099e-01 -1.293363160e+00 -1.640702606e+00 3.64 -3.166757550e-01 -1.264654846e+00 -1.603158578e+00 3.66 -3.074373272e-01 -1.236639574e+00 -1.566391406e+00 3.68 -2.984446107e-01 -1.209309700e+00 -1.530394914e+00 3.70 -2.896921567e-01 -1.182657086e+00 -1.495162215e+00 3.72 -2.811745855e-01 -1.156673136e+00 -1.460685782e+00 3.74 -2.728865888e-01 -1.131348820e+00 -1.426957511e+00 3.76 -2.648229313e-01 -1.106674703e+00 -1.393968784e+00 3.78 -2.569784522e-01 -1.082640966e+00 -1.361710524e+00 3.80 -2.493480669e-01 -1.059237422e+00 -1.330173248e+00 3.82 -2.419267678e-01 -1.036453535e+00 -1.299347119e+00 3.84 -2.347096251e-01 -1.014278430e+00 -1.269221984e+00 3.86 -2.276917883e-01 -9.927009028e-01 -1.239787425e+00 3.88 -2.208684861e-01 -9.717094302e-01 -1.211032789e+00 3.90 -2.142350275e-01 -9.512921724e-01 -1.182947232e+00 3.92 -2.072654733e-01 -9.296715988e-01 -1.153420650e+00 3.94 -1.934713506e-01 -8.844169932e-01 -1.095732201e+00 3.96 -1.568999702e-01 -7.540163018e-01 -9.356426900e-01 3.98 -8.102372508e-02 -4.376601393e-01 -5.466503787e-01 4.00 -6.223821653e-23 -2.585444234e-22 -2.819601173e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 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