# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au2CoZr # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.311894671e+02 3.311894671e+02 1.30 3.075334836e+02 3.075334836e+02 1.32 2.856103597e+02 2.856103597e+02 1.34 2.652804871e+02 2.652804871e+02 1.36 2.464162419e+02 2.464162419e+02 1.38 2.289015527e+02 2.289015527e+02 1.40 2.126313649e+02 2.126313649e+02 1.42 1.975108976e+02 1.975108976e+02 1.44 1.834546385e+02 1.834546385e+02 1.46 1.703845380e+02 1.703845380e+02 1.48 1.582278639e+02 1.582278639e+02 1.50 1.469161708e+02 1.469161708e+02 1.52 1.363857704e+02 1.363857704e+02 1.54 1.265783604e+02 1.265783604e+02 1.56 1.174408882e+02 1.174408882e+02 1.58 1.089245706e+02 1.089245706e+02 1.60 1.009840207e+02 1.009840207e+02 1.62 9.357688120e+01 9.357688120e+01 1.64 8.666393719e+01 8.666393719e+01 1.66 8.020916643e+01 8.020916643e+01 1.68 7.417960488e+01 7.417960488e+01 1.70 6.854502646e+01 6.854502646e+01 1.72 6.327759700e+01 6.327759700e+01 1.74 5.835162540e+01 5.835162540e+01 1.76 5.374342886e+01 5.374342886e+01 1.78 4.943121737e+01 4.943121737e+01 1.80 4.539495166e+01 4.539495166e+01 1.82 4.161616532e+01 4.161616532e+01 1.84 3.807827147e+01 3.807827147e+01 1.86 3.477382949e+01 3.477382949e+01 1.88 3.170378248e+01 3.170378248e+01 1.90 2.885330806e+01 2.885330806e+01 1.92 2.620760701e+01 2.620760701e+01 1.94 2.375275114e+01 2.375275114e+01 1.96 2.147565297e+01 2.147565297e+01 1.98 1.936399785e+01 1.936399785e+01 2.00 1.740619726e+01 1.740619726e+01 2.02 1.559136682e+01 1.559136682e+01 2.04 1.390934300e+01 1.390934300e+01 2.06 1.235071203e+01 1.235071203e+01 2.08 1.090680901e+01 1.090680901e+01 2.10 9.569691916e+00 9.569691916e+00 2.12 8.332048158e+00 8.332048158e+00 2.14 7.187102753e+00 7.187102753e+00 2.16 6.128523079e+00 6.128523079e+00 2.18 5.150350566e+00 5.150350566e+00 2.20 4.246977530e+00 4.246977530e+00 2.22 3.413136729e+00 3.413136729e+00 2.24 2.643906536e+00 2.643906536e+00 2.26 1.934718227e+00 1.934718227e+00 2.28 1.281350696e+00 1.281350696e+00 2.30 6.799353063e-01 6.799353063e-01 2.32 1.269332144e-01 1.269332144e-01 2.34 -3.809060289e-01 -3.809060289e-01 2.36 -8.465760110e-01 -8.465760110e-01 2.38 -1.272855505e+00 -1.272855505e+00 2.40 -1.662342537e+00 -1.662342537e+00 2.42 -2.017484895e+00 -2.017484895e+00 2.44 -2.340594936e+00 -2.340594936e+00 2.46 -2.633863792e+00 -2.633863792e+00 2.48 -2.899364145e+00 -2.899364145e+00 2.50 -3.139051341e+00 -3.139051341e+00 2.52 -3.354767579e+00 -3.354767579e+00 2.54 -3.548252184e+00 -3.548252184e+00 2.56 -3.721184579e+00 -3.721184579e+00 2.58 -3.875181708e+00 -3.875181708e+00 2.60 -4.011664118e+00 -4.011664118e+00 2.62 -4.131989769e+00 -4.131989769e+00 2.64 -4.237446115e+00 -4.237446115e+00 2.66 -4.329229963e+00 -4.329229963e+00 2.68 -4.408434933e+00 -4.408434933e+00 2.70 -4.476045817e+00 -4.476045817e+00 2.72 -4.532854595e+00 -4.532854595e+00 2.74 -4.579464741e+00 -4.579464741e+00 2.76 -4.616480192e+00 -4.616480192e+00 2.78 -4.644457262e+00 -4.644457262e+00 2.80 -4.663899286e+00 -4.663899286e+00 2.82 -4.675295952e+00 -4.675295952e+00 2.84 -4.679128087e+00 -4.679128087e+00 2.86 -4.675863365e+00 -4.675863365e+00 2.88 -4.665955594e+00 -4.665955594e+00 2.90 -4.649845329e+00 -4.649845329e+00 2.92 -4.628030314e+00 -4.628030314e+00 2.94 -4.600952629e+00 -4.600952629e+00 2.96 -4.568840274e+00 -4.568840274e+00 2.98 -4.531951041e+00 -4.531951041e+00 3.00 -4.490574667e+00 -4.490574667e+00 3.02 -4.445028217e+00 -4.445028217e+00 3.04 -4.395647858e+00 -4.395647858e+00 3.06 -4.342788696e+00 -4.342788696e+00 3.08 -4.286801592e+00 -4.286801592e+00 3.10 -4.228027984e+00 -4.228027984e+00 3.12 -4.166781454e+00 -4.166781454e+00 3.14 -4.103358473e+00 -4.103358473e+00 3.16 -4.038026459e+00 -4.038026459e+00 3.18 -3.971031252e+00 -3.971031252e+00 3.20 -3.902597708e+00 -3.902597708e+00 3.22 -3.832934186e+00 -3.832934186e+00 3.24 -3.762238039e+00 -3.762238039e+00 3.26 -3.690701145e+00 -3.690701145e+00 3.28 -3.618514305e+00 -3.618514305e+00 3.30 -3.545869386e+00 -3.545869386e+00 3.32 -3.472958440e+00 -3.472958440e+00 3.34 -3.399969899e+00 -3.399969899e+00 3.36 -3.327082886e+00 -3.327082886e+00 3.38 -3.254461293e+00 -3.254461293e+00 3.40 -3.182248253e+00 -3.182248253e+00 3.42 -3.110568303e+00 -3.110568303e+00 3.44 -3.039520896e+00 -3.039520896e+00 3.46 -2.969187465e+00 -2.969187465e+00 3.48 -2.899633260e+00 -2.899633260e+00 3.50 -2.830910575e+00 -2.830910575e+00 3.52 -2.763061510e+00 -2.763061510e+00 3.54 -2.696120026e+00 -2.696120026e+00 3.56 -2.630113313e+00 -2.630113313e+00 3.58 -2.565062615e+00 -2.565062615e+00 3.60 -2.500983703e+00 -2.500983703e+00 3.62 -2.437887208e+00 -2.437887208e+00 3.64 -2.375778946e+00 -2.375778946e+00 3.66 -2.314660397e+00 -2.314660397e+00 3.68 -2.254529396e+00 -2.254529396e+00 3.70 -2.195381108e+00 -2.195381108e+00 3.72 -2.137209295e+00 -2.137209295e+00 3.74 -2.080007846e+00 -2.080007846e+00 3.76 -2.023772466e+00 -2.023772466e+00 3.78 -1.968502389e+00 -1.968502389e+00 3.80 -1.914201845e+00 -1.914201845e+00 3.82 -1.860881034e+00 -1.860881034e+00 3.84 -1.808556282e+00 -1.808556282e+00 3.86 -1.757249195e+00 -1.757249195e+00 3.88 -1.706984740e+00 -1.706984740e+00 3.90 -1.657788457e+00 -1.657788457e+00 3.92 -1.609681919e+00 -1.609681919e+00 3.94 -1.562685001e+00 -1.562685001e+00 3.96 -1.516804866e+00 -1.516804866e+00 3.98 -1.472040605e+00 -1.472040605e+00 4.00 -1.428381458e+00 -1.428381458e+00 4.02 -1.385807746e+00 -1.385807746e+00 4.04 -1.344292609e+00 -1.344292609e+00 4.06 -1.303804182e+00 -1.303804182e+00 4.08 -1.264307897e+00 -1.264307897e+00 4.10 -1.225764720e+00 -1.225764720e+00 4.12 -1.188149597e+00 -1.188149597e+00 4.14 -1.151427073e+00 -1.151427073e+00 4.16 -1.115570970e+00 -1.115570970e+00 4.18 -1.080560570e+00 -1.080560570e+00 4.20 -1.046381342e+00 -1.046381342e+00 4.22 -1.013025309e+00 -1.013025309e+00 4.24 -9.804909633e-01 -9.804909633e-01 4.26 -9.487826921e-01 -9.487826921e-01 4.28 -9.179096570e-01 -9.179096570e-01 4.30 -8.878841789e-01 -8.878841789e-01 4.32 -8.587197330e-01 -8.587197330e-01 4.34 -8.304287491e-01 -8.304287491e-01 4.36 -8.030204582e-01 -8.030204582e-01 4.38 -7.764990338e-01 -7.764990338e-01 4.40 -7.508622302e-01 -7.508622302e-01 4.42 -7.261006352e-01 -7.261006352e-01 4.44 -7.021975597e-01 -7.021975597e-01 4.46 -6.791294883e-01 -6.791294883e-01 4.48 -6.568669610e-01 -6.568669610e-01 4.50 -6.353757192e-01 -6.353757192e-01 4.52 -6.146179603e-01 -6.146179603e-01 4.54 -5.945535698e-01 -5.945535698e-01 4.56 -5.751412415e-01 -5.751412415e-01 4.58 -5.563394332e-01 -5.563394332e-01 4.60 -5.381071476e-01 -5.381071476e-01 4.62 -5.204045459e-01 -5.204045459e-01 4.64 -5.031934263e-01 -5.031934263e-01 4.66 -4.864376019e-01 -4.864376019e-01 4.68 -4.701032178e-01 -4.701032178e-01 4.70 -4.541590422e-01 -4.541590422e-01 4.72 -4.385767596e-01 -4.385767596e-01 4.74 -4.233312855e-01 -4.233312855e-01 4.76 -4.084011100e-01 -4.084011100e-01 4.78 -3.937686661e-01 -3.937686661e-01 4.80 -3.794175810e-01 -3.794175810e-01 4.82 -3.653460461e-01 -3.653460461e-01 4.84 -3.515466751e-01 -3.515466751e-01 4.86 -3.380209368e-01 -3.380209368e-01 4.88 -3.247753599e-01 -3.247753599e-01 4.90 -3.118212632e-01 -3.118212632e-01 4.92 -2.991742103e-01 -2.991742103e-01 4.94 -2.868531723e-01 -2.868531723e-01 4.96 -2.748794192e-01 -2.748794192e-01 4.98 -2.632751985e-01 -2.632751985e-01 5.00 -2.520622923e-01 -2.520622923e-01 5.02 -2.412605693e-01 -2.412605693e-01 5.04 -2.308866593e-01 -2.308866593e-01 5.06 -2.209528612e-01 -2.209528612e-01 5.08 -2.114663734e-01 -2.114663734e-01 5.10 -2.024288933e-01 -2.024288933e-01 5.12 -1.938365886e-01 -1.938365886e-01 5.14 -1.856804072e-01 -1.856804072e-01 5.16 -1.779466623e-01 -1.779466623e-01 5.18 -1.706178104e-01 -1.706178104e-01 5.20 -1.636733249e-01 -1.636733249e-01 5.22 -1.570904463e-01 -1.570904463e-01 5.24 -1.508455647e-01 -1.508455647e-01 5.26 -1.449147857e-01 -1.449147857e-01 5.28 -1.392745529e-01 -1.392745529e-01 5.30 -1.339022711e-01 -1.339022711e-01 5.32 -1.287768005e-01 -1.287768005e-01 5.34 -1.238788221e-01 -1.238788221e-01 5.36 -1.191910828e-01 -1.191910828e-01 5.38 -1.146985257e-01 -1.146985257e-01 5.40 -1.103883144e-01 -1.103883144e-01 5.42 -1.062497595e-01 -1.062497595e-01 5.44 -1.022741557e-01 -1.022741557e-01 5.46 -9.845454297e-02 -9.845454297e-02 5.48 -9.478540715e-02 -9.478540715e-02 5.50 -9.126233932e-02 -9.126233932e-02 5.52 -8.788167919e-02 -8.788167919e-02 5.54 -8.464016693e-02 -8.464016693e-02 5.56 -8.153462777e-02 -8.153462777e-02 5.58 -7.856170972e-02 -7.856170972e-02 5.60 -7.571766896e-02 -7.571766896e-02 5.62 -7.299817260e-02 -7.299817260e-02 5.64 -7.039851550e-02 -7.039851550e-02 5.66 -6.791346557e-02 -6.791346557e-02 5.68 -6.553729169e-02 -6.553729169e-02 5.70 -6.326386497e-02 -6.326386497e-02 5.72 -6.108677682e-02 -6.108677682e-02 5.74 -5.899946016e-02 -5.899946016e-02 5.76 -5.699530305e-02 -5.699530305e-02 5.78 -5.506774799e-02 -5.506774799e-02 5.80 -5.321037303e-02 -5.321037303e-02 5.82 -5.141695388e-02 -5.141695388e-02 5.84 -4.968150827e-02 -4.968150827e-02 5.86 -4.799832492e-02 -4.799832492e-02 5.88 -4.636198057e-02 -4.636198057e-02 5.90 -4.476734865e-02 -4.476734865e-02 5.92 -4.320960293e-02 -4.320960293e-02 5.94 -4.168421963e-02 -4.168421963e-02 5.96 -4.018698070e-02 -4.018698070e-02 5.98 -3.871398074e-02 -3.871398074e-02 6.00 -3.726163935e-02 -3.726163935e-02