# 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 = CoCu2Mo # 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 1.462487250e+02 1.462487250e+02 1.30 1.343687895e+02 1.343687895e+02 1.32 1.234380587e+02 1.234380587e+02 1.34 1.133745395e+02 1.133745395e+02 1.36 1.041012558e+02 1.041012558e+02 1.38 9.554707014e+01 9.554707014e+01 1.40 8.764777913e+01 8.764777913e+01 1.42 8.034690942e+01 8.034690942e+01 1.44 7.359525860e+01 7.359525860e+01 1.46 6.734943132e+01 6.734943132e+01 1.48 6.157045771e+01 6.157045771e+01 1.50 5.622307434e+01 5.622307434e+01 1.52 5.127541291e+01 5.127541291e+01 1.54 4.669864986e+01 4.669864986e+01 1.56 4.246650549e+01 4.246650549e+01 1.58 3.855480472e+01 3.855480472e+01 1.60 3.494130447e+01 3.494130447e+01 1.62 3.160743433e+01 3.160743433e+01 1.64 2.853603065e+01 2.853603065e+01 1.66 2.571047189e+01 2.571047189e+01 1.68 2.311445127e+01 2.311445127e+01 1.70 2.073189404e+01 2.073189404e+01 1.72 1.854698644e+01 1.854698644e+01 1.74 1.654384029e+01 1.654384029e+01 1.76 1.470655277e+01 1.470655277e+01 1.78 1.301958733e+01 1.301958733e+01 1.80 1.146834666e+01 1.146834666e+01 1.82 1.003972523e+01 1.003972523e+01 1.84 8.722451798e+00 8.722451798e+00 1.86 7.507135478e+00 7.507135478e+00 1.88 6.386044864e+00 6.386044864e+00 1.90 5.352726102e+00 5.352726102e+00 1.92 4.401591422e+00 4.401591422e+00 1.94 3.527588109e+00 3.527588109e+00 1.96 2.725997523e+00 2.725997523e+00 1.98 1.992344583e+00 1.992344583e+00 2.00 1.322360979e+00 1.322360979e+00 2.02 7.119518810e-01 7.119518810e-01 2.04 1.571451763e-01 1.571451763e-01 2.06 -3.459670709e-01 -3.459670709e-01 2.08 -8.012677147e-01 -8.012677147e-01 2.10 -1.212610979e+00 -1.212610979e+00 2.12 -1.583772720e+00 -1.583772720e+00 2.14 -1.918370702e+00 -1.918370702e+00 2.16 -2.219780815e+00 -2.219780815e+00 2.18 -2.491073649e+00 -2.491073649e+00 2.20 -2.734986458e+00 -2.734986458e+00 2.22 -2.953933206e+00 -2.953933206e+00 2.24 -3.150045164e+00 -3.150045164e+00 2.26 -3.325220378e+00 -3.325220378e+00 2.28 -3.481022808e+00 -3.481022808e+00 2.30 -3.619243142e+00 -3.619243142e+00 2.32 -3.741668933e+00 -3.741668933e+00 2.34 -3.849930545e+00 -3.849930545e+00 2.36 -3.945481964e+00 -3.945481964e+00 2.38 -4.029572117e+00 -4.029572117e+00 2.40 -4.103212243e+00 -4.103212243e+00 2.42 -4.167004741e+00 -4.167004741e+00 2.44 -4.221350214e+00 -4.221350214e+00 2.46 -4.266677874e+00 -4.266677874e+00 2.48 -4.303346242e+00 -4.303346242e+00 2.50 -4.331712831e+00 -4.331712831e+00 2.52 -4.352163460e+00 -4.352163460e+00 2.54 -4.365106931e+00 -4.365106931e+00 2.56 -4.370968963e+00 -4.370968963e+00 2.58 -4.370186516e+00 -4.370186516e+00 2.60 -4.363200169e+00 -4.363200169e+00 2.62 -4.350406528e+00 -4.350406528e+00 2.64 -4.332367131e+00 -4.332367131e+00 2.66 -4.309657425e+00 -4.309657425e+00 2.68 -4.282179551e+00 -4.282179551e+00 2.70 -4.249903869e+00 -4.249903869e+00 2.72 -4.212883783e+00 -4.212883783e+00 2.74 -4.171239059e+00 -4.171239059e+00 2.76 -4.125135628e+00 -4.125135628e+00 2.78 -4.074764927e+00 -4.074764927e+00 2.80 -4.020334820e+00 -4.020334820e+00 2.82 -3.962095215e+00 -3.962095215e+00 2.84 -3.900296281e+00 -3.900296281e+00 2.86 -3.835178035e+00 -3.835178035e+00 2.88 -3.766982828e+00 -3.766982828e+00 2.90 -3.695968208e+00 -3.695968208e+00 2.92 -3.622417102e+00 -3.622417102e+00 2.94 -3.546643454e+00 -3.546643454e+00 2.96 -3.468992403e+00 -3.468992403e+00 2.98 -3.389834823e+00 -3.389834823e+00 3.00 -3.309556644e+00 -3.309556644e+00 3.02 -3.228543854e+00 -3.228543854e+00 3.04 -3.147164634e+00 -3.147164634e+00 3.06 -3.065750685e+00 -3.065750685e+00 3.08 -2.984580365e+00 -2.984580365e+00 3.10 -2.903866280e+00 -2.903866280e+00 3.12 -2.823749361e+00 -2.823749361e+00 3.14 -2.744300122e+00 -2.744300122e+00 3.16 -2.665526361e+00 -2.665526361e+00 3.18 -2.587385570e+00 -2.587385570e+00 3.20 -2.509800001e+00 -2.509800001e+00 3.22 -2.432672656e+00 -2.432672656e+00 3.24 -2.355902979e+00 -2.355902979e+00 3.26 -2.279401521e+00 -2.279401521e+00 3.28 -2.203103088e+00 -2.203103088e+00 3.30 -2.126977946e+00 -2.126977946e+00 3.32 -2.051040586e+00 -2.051040586e+00 3.34 -1.975355491e+00 -1.975355491e+00 3.36 -1.900039336e+00 -1.900039336e+00 3.38 -1.825259237e+00 -1.825259237e+00 3.40 -1.751226915e+00 -1.751226915e+00 3.42 -1.678189081e+00 -1.678189081e+00 3.44 -1.606414724e+00 -1.606414724e+00 3.46 -1.536180414e+00 -1.536180414e+00 3.48 -1.467754971e+00 -1.467754971e+00 3.50 -1.401384915e+00 -1.401384915e+00 3.52 -1.337282024e+00 -1.337282024e+00 3.54 -1.275613999e+00 -1.275613999e+00 3.56 -1.216498817e+00 -1.216498817e+00 3.58 -1.160002927e+00 -1.160002927e+00 3.60 -1.106143005e+00 -1.106143005e+00 3.62 -1.054890678e+00 -1.054890678e+00 3.64 -1.006179456e+00 -1.006179456e+00 3.66 -9.599130440e-01 -9.599130440e-01 3.68 -9.159742529e-01 -9.159742529e-01 3.70 -8.742338231e-01 -8.742338231e-01 3.72 -8.345585919e-01 -8.345585919e-01 3.74 -7.968185532e-01 -7.968185532e-01 3.76 -7.608924528e-01 -7.608924528e-01 3.78 -7.266716591e-01 -7.266716591e-01 3.80 -6.940621558e-01 -6.940621558e-01 3.82 -6.629846401e-01 -6.629846401e-01 3.84 -6.333728833e-01 -6.333728833e-01 3.86 -6.051707052e-01 -6.051707052e-01 3.88 -5.783280859e-01 -5.783280859e-01 3.90 -5.527970402e-01 -5.527970402e-01 3.92 -5.285278767e-01 -5.285278767e-01 3.94 -5.054663403e-01 -5.054663403e-01 3.96 -4.835519241e-01 -4.835519241e-01 3.98 -4.627174023e-01 -4.627174023e-01 4.00 -4.428894252e-01 -4.428894252e-01 4.02 -4.239898868e-01 -4.239898868e-01 4.04 -4.059377342e-01 -4.059377342e-01 4.06 -3.886509249e-01 -3.886509249e-01 4.08 -3.720483133e-01 -3.720483133e-01 4.10 -3.560513447e-01 -3.560513447e-01 4.12 -3.405855168e-01 -3.405855168e-01 4.14 -3.255816232e-01 -3.255816232e-01 4.16 -3.109768260e-01 -3.109768260e-01 4.18 -2.967156032e-01 -2.967156032e-01 4.20 -2.827506006e-01 -2.827506006e-01 4.22 -2.690433917e-01 -2.690433917e-01 4.24 -2.555651196e-01 -2.555651196e-01 4.26 -2.422969722e-01 -2.422969722e-01 4.28 -2.292304361e-01 -2.292304361e-01 4.30 -2.163672764e-01 -2.163672764e-01 4.32 -2.037192049e-01 -2.037192049e-01 4.34 -1.913072130e-01 -1.913072130e-01 4.36 -1.791605578e-01 -1.791605578e-01 4.38 -1.673153927e-01 -1.673153927e-01 4.40 -1.558130399e-01 -1.558130399e-01 4.42 -1.446979180e-01 -1.446979180e-01 4.44 -1.340151771e-01 -1.340151771e-01 4.46 -1.238081493e-01 -1.238081493e-01 4.48 -1.141157835e-01 -1.141157835e-01 4.50 -1.049702806e-01 -1.049702806e-01 4.52 -9.639515432e-02 -9.639515432e-02 4.54 -8.840390635e-02 -8.840390635e-02 4.56 -8.099943316e-02 -8.099943316e-02 4.58 -7.417418112e-02 -7.417418112e-02 4.60 -6.791098507e-02 -6.791098507e-02 4.62 -6.218441945e-02 -6.218441945e-02 4.64 -5.696249263e-02 -5.696249263e-02 4.66 -5.220848657e-02 -5.220848657e-02 4.68 -4.788280118e-02 -4.788280118e-02 4.70 -4.394463976e-02 -4.394463976e-02 4.72 -4.035317884e-02 -4.035317884e-02 4.74 -3.706924862e-02 -3.706924862e-02 4.76 -3.405656951e-02 -3.405656951e-02 4.78 -3.128178161e-02 -3.128178161e-02 4.80 -2.871500377e-02 -2.871500377e-02 4.82 -2.633018859e-02 -2.633018859e-02 4.84 -2.410529051e-02 -2.410529051e-02 4.86 -2.202227408e-02 -2.202227408e-02 4.88 -2.006697696e-02 -2.006697696e-02 4.90 -1.822883757e-02 -1.822883757e-02 4.92 -1.650049636e-02 -1.650049636e-02 4.94 -1.487728482e-02 -1.487728482e-02 4.96 -1.335649920e-02 -1.335649920e-02 4.98 -1.193692513e-02 -1.193692513e-02 5.00 -1.061831377e-02 -1.061831377e-02 5.02 -9.400568154e-03 -9.400568154e-03 5.04 -8.283222443e-03 -8.283222443e-03 5.06 -7.265052885e-03 -7.265052885e-03 5.08 -6.343839326e-03 -6.343839326e-03 5.10 -5.516276623e-03 -5.516276623e-03 5.12 -4.778017785e-03 -4.778017785e-03 5.14 -4.123818198e-03 -4.123818198e-03 5.16 -3.547744707e-03 -3.547744707e-03 5.18 -3.043414056e-03 -3.043414056e-03 5.20 -2.604230684e-03 -2.604230684e-03 5.22 -2.223601949e-03 -2.223601949e-03 5.24 -1.895117380e-03 -1.895117380e-03 5.26 -1.612686228e-03 -1.612686228e-03 5.28 -1.370633367e-03 -1.370633367e-03 5.30 -1.163757550e-03 -1.163757550e-03 5.32 -9.873580886e-04 -9.873580886e-04 5.34 -8.372367795e-04 -8.372367795e-04 5.36 -7.096816767e-04 -7.096816767e-04 5.38 -6.014385468e-04 -6.014385468e-04 5.40 -5.096748178e-04 -5.096748178e-04 5.42 -4.319397797e-04 -4.319397797e-04 5.44 -3.661238077e-04 -3.661238077e-04 5.46 -3.104185448e-04 -3.104185448e-04 5.48 -2.632793026e-04 -2.632793026e-04 5.50 -2.233904234e-04 -2.233904234e-04 5.52 -1.896339637e-04 -1.896339637e-04 5.54 -1.610617907e-04 -1.610617907e-04 5.56 -1.368710084e-04 -1.368710084e-04 5.58 -1.163825142e-04 -1.163825142e-04 5.60 -9.902242678e-05 -9.902242678e-05 5.62 -8.430610031e-05 -8.430610031e-05 5.64 -7.182442971e-05 -7.182442971e-05 5.66 -6.123216762e-05 -6.123216762e-05 5.68 -5.223798907e-05 -5.223798907e-05 5.70 -4.459606460e-05 -4.459606460e-05 5.72 -3.809892804e-05 -3.809892804e-05 5.74 -3.257144991e-05 -3.257144991e-05 5.76 -2.786575170e-05 -2.786575170e-05 5.78 -2.385691842e-05 -2.385691842e-05 5.80 -2.043938681e-05 -2.043938681e-05 5.82 -1.752390413e-05 -1.752390413e-05 5.84 -1.503496838e-05 -1.503496838e-05 5.86 -1.290867401e-05 -1.290867401e-05 5.88 -1.109089890e-05 -1.109089890e-05 5.90 -9.535778467e-06 -9.535778467e-06 5.92 -8.204421225e-06 -8.204421225e-06 5.94 -7.063827165e-06 -7.063827165e-06 5.96 -6.085976759e-06 -6.085976759e-06 5.98 -5.247063288e-06 -5.247063288e-06 6.00 -4.526845680e-06 -4.526845680e-06