# 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 = Co2PtTa # 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 2.705717372e+02 2.705717372e+02 1.30 2.509900063e+02 2.509900063e+02 1.32 2.327831347e+02 2.327831347e+02 1.34 2.158418708e+02 2.158418708e+02 1.36 2.000703771e+02 2.000703771e+02 1.38 1.853792423e+02 1.853792423e+02 1.40 1.716829305e+02 1.716829305e+02 1.42 1.589022881e+02 1.589022881e+02 1.44 1.469687800e+02 1.469687800e+02 1.46 1.358271183e+02 1.358271183e+02 1.48 1.254338871e+02 1.254338871e+02 1.50 1.157519479e+02 1.157519479e+02 1.52 1.067437002e+02 1.067437002e+02 1.54 9.836703271e+01 9.836703271e+01 1.56 9.057534200e+01 9.057534200e+01 1.58 8.332024182e+01 8.332024182e+01 1.60 7.655471504e+01 7.655471504e+01 1.62 7.023539138e+01 7.023539138e+01 1.64 6.432382325e+01 6.432382325e+01 1.66 5.878701066e+01 5.878701066e+01 1.68 5.359725838e+01 5.359725838e+01 1.70 4.873143552e+01 4.873143552e+01 1.72 4.416984460e+01 4.416984460e+01 1.74 3.989493072e+01 3.989493072e+01 1.76 3.589322816e+01 3.589322816e+01 1.78 3.214940104e+01 3.214940104e+01 1.80 2.866708392e+01 2.866708392e+01 1.82 2.547125136e+01 2.547125136e+01 1.84 2.254104179e+01 2.254104179e+01 1.86 1.985572423e+01 1.985572423e+01 1.88 1.739694930e+01 1.739694930e+01 1.90 1.514816045e+01 1.514816045e+01 1.92 1.309398824e+01 1.309398824e+01 1.94 1.121980002e+01 1.121980002e+01 1.96 9.511472402e+00 9.511472402e+00 1.98 7.955355115e+00 7.955355115e+00 2.00 6.538356383e+00 6.538356383e+00 2.02 5.248102519e+00 5.248102519e+00 2.04 4.073137055e+00 4.073137055e+00 2.06 3.003097630e+00 3.003097630e+00 2.08 2.028796459e+00 2.028796459e+00 2.10 1.142170539e+00 1.142170539e+00 2.12 3.361299906e-01 3.361299906e-01 2.14 -3.956298493e-01 -3.956298493e-01 2.16 -1.058791211e+00 -1.058791211e+00 2.18 -1.658523199e+00 -1.658523199e+00 2.20 -2.199545414e+00 -2.199545414e+00 2.22 -2.686171643e+00 -2.686171643e+00 2.24 -3.122355284e+00 -3.122355284e+00 2.26 -3.511743851e+00 -3.511743851e+00 2.28 -3.857738473e+00 -3.857738473e+00 2.30 -4.163549766e+00 -4.163549766e+00 2.32 -4.432241967e+00 -4.432241967e+00 2.34 -4.666759766e+00 -4.666759766e+00 2.36 -4.869936405e+00 -4.869936405e+00 2.38 -5.044486031e+00 -5.044486031e+00 2.40 -5.192954798e+00 -5.192954798e+00 2.42 -5.317651862e+00 -5.317651862e+00 2.44 -5.421007418e+00 -5.421007418e+00 2.46 -5.505273488e+00 -5.505273488e+00 2.48 -5.572487272e+00 -5.572487272e+00 2.50 -5.624495786e+00 -5.624495786e+00 2.52 -5.663300711e+00 -5.663300711e+00 2.54 -5.691554999e+00 -5.691554999e+00 2.56 -5.710116296e+00 -5.710116296e+00 2.58 -5.719675349e+00 -5.719675349e+00 2.60 -5.720941136e+00 -5.720941136e+00 2.62 -5.714587449e+00 -5.714587449e+00 2.64 -5.701213584e+00 -5.701213584e+00 2.66 -5.681323570e+00 -5.681323570e+00 2.68 -5.655324857e+00 -5.655324857e+00 2.70 -5.623551581e+00 -5.623551581e+00 2.72 -5.586336805e+00 -5.586336805e+00 2.74 -5.543861716e+00 -5.543861716e+00 2.76 -5.496272431e+00 -5.496272431e+00 2.78 -5.443719716e+00 -5.443719716e+00 2.80 -5.386362399e+00 -5.386362399e+00 2.82 -5.324369225e+00 -5.324369225e+00 2.84 -5.257921423e+00 -5.257921423e+00 2.86 -5.187217438e+00 -5.187217438e+00 2.88 -5.112480097e+00 -5.112480097e+00 2.90 -5.033939518e+00 -5.033939518e+00 2.92 -4.951803880e+00 -4.951803880e+00 2.94 -4.866336820e+00 -4.866336820e+00 2.96 -4.777867503e+00 -4.777867503e+00 2.98 -4.686779231e+00 -4.686779231e+00 3.00 -4.593489207e+00 -4.593489207e+00 3.02 -4.498421655e+00 -4.498421655e+00 3.04 -4.401978845e+00 -4.401978845e+00 3.06 -4.304515541e+00 -4.304515541e+00 3.08 -4.206321619e+00 -4.206321619e+00 3.10 -4.107615636e+00 -4.107615636e+00 3.12 -4.008549425e+00 -4.008549425e+00 3.14 -3.909221664e+00 -3.909221664e+00 3.16 -3.809696955e+00 -3.809696955e+00 3.18 -3.710026735e+00 -3.710026735e+00 3.20 -3.610268858e+00 -3.610268858e+00 3.22 -3.510555398e+00 -3.510555398e+00 3.24 -3.411249912e+00 -3.411249912e+00 3.26 -3.312758655e+00 -3.312758655e+00 3.28 -3.215468571e+00 -3.215468571e+00 3.30 -3.119740428e+00 -3.119740428e+00 3.32 -3.025897613e+00 -3.025897613e+00 3.34 -2.934213601e+00 -2.934213601e+00 3.36 -2.844900907e+00 -2.844900907e+00 3.38 -2.758103711e+00 -2.758103711e+00 3.40 -2.673895384e+00 -2.673895384e+00 3.42 -2.592281155e+00 -2.592281155e+00 3.44 -2.513205190e+00 -2.513205190e+00 3.46 -2.436560801e+00 -2.436560801e+00 3.48 -2.362202268e+00 -2.362202268e+00 3.50 -2.289956885e+00 -2.289956885e+00 3.52 -2.219636208e+00 -2.219636208e+00 3.54 -2.151045881e+00 -2.151045881e+00 3.56 -2.083993860e+00 -2.083993860e+00 3.58 -2.018297123e+00 -2.018297123e+00 3.60 -1.953787126e+00 -1.953787126e+00 3.62 -1.890314340e+00 -1.890314340e+00 3.64 -1.827752110e+00 -1.827752110e+00 3.66 -1.766000019e+00 -1.766000019e+00 3.68 -1.704986738e+00 -1.704986738e+00 3.70 -1.644672229e+00 -1.644672229e+00 3.72 -1.585049041e+00 -1.585049041e+00 3.74 -1.526142366e+00 -1.526142366e+00 3.76 -1.468008564e+00 -1.468008564e+00 3.78 -1.410731924e+00 -1.410731924e+00 3.80 -1.354419654e+00 -1.354419654e+00 3.82 -1.299195250e+00 -1.299195250e+00 3.84 -1.245190679e+00 -1.245190679e+00 3.86 -1.192537946e+00 -1.192537946e+00 3.88 -1.141360767e+00 -1.141360767e+00 3.90 -1.091767056e+00 -1.091767056e+00 3.92 -1.043842871e+00 -1.043842871e+00 3.94 -9.976482804e-01 -9.976482804e-01 3.96 -9.532153818e-01 -9.532153818e-01 3.98 -9.105485239e-01 -9.105485239e-01 4.00 -8.696265144e-01 -8.696265144e-01 4.02 -8.304064800e-01 -8.304064800e-01 4.04 -7.928289273e-01 -7.928289273e-01 4.06 -7.568235018e-01 -7.568235018e-01 4.08 -7.223149383e-01 -7.223149383e-01 4.10 -6.892287118e-01 -6.892287118e-01 4.12 -6.574959681e-01 -6.574959681e-01 4.14 -6.270573118e-01 -6.270573118e-01 4.16 -5.978652370e-01 -5.978652370e-01 4.18 -5.698849906e-01 -5.698849906e-01 4.20 -5.430938791e-01 -5.430938791e-01 4.22 -5.174791681e-01 -5.174791681e-01 4.24 -4.930348833e-01 -4.930348833e-01 4.26 -4.697579388e-01 -4.697579388e-01 4.28 -4.476440833e-01 -4.476440833e-01 4.30 -4.266841396e-01 -4.266841396e-01 4.32 -4.068609426e-01 -4.068609426e-01 4.34 -3.881472540e-01 -3.881472540e-01 4.36 -3.705047856e-01 -3.705047856e-01 4.38 -3.538843109e-01 -3.538843109e-01 4.40 -3.382267176e-01 -3.382267176e-01 4.42 -3.234647630e-01 -3.234647630e-01 4.44 -3.095252504e-01 -3.095252504e-01 4.46 -2.963313518e-01 -2.963313518e-01 4.48 -2.838048439e-01 -2.838048439e-01 4.50 -2.718680974e-01 -2.718680974e-01 4.52 -2.604457322e-01 -2.604457322e-01 4.54 -2.494659198e-01 -2.494659198e-01 4.56 -2.388613677e-01 -2.388613677e-01 4.58 -2.285700489e-01 -2.285700489e-01 4.60 -2.185357545e-01 -2.185357545e-01 4.62 -2.087085442e-01 -2.087085442e-01 4.64 -1.990451548e-01 -1.990451548e-01 4.66 -1.895094069e-01 -1.895094069e-01 4.68 -1.800726241e-01 -1.800726241e-01 4.70 -1.707140539e-01 -1.707140539e-01 4.72 -1.614212521e-01 -1.614212521e-01 4.74 -1.521903726e-01 -1.521903726e-01 4.76 -1.430262899e-01 -1.430262899e-01 4.78 -1.339424746e-01 -1.339424746e-01 4.80 -1.249605512e-01 -1.249605512e-01 4.82 -1.161094903e-01 -1.161094903e-01 4.84 -1.074244080e-01 -1.074244080e-01 4.86 -9.894500769e-02 -9.894500769e-02 4.88 -9.071372019e-02 -9.071372019e-02 4.90 -8.277364937e-02 -8.277364937e-02 4.92 -7.516646201e-02 -7.516646201e-02 4.94 -6.793036301e-02 -6.793036301e-02 4.96 -6.109829608e-02 -6.109829608e-02 4.98 -5.469650591e-02 -5.469650591e-02 5.00 -4.874353382e-02 -4.874353382e-02 5.02 -4.324969218e-02 -4.324969218e-02 5.04 -3.821703802e-02 -3.821703802e-02 5.06 -3.363979882e-02 -3.363979882e-02 5.08 -2.950544534e-02 -2.950544534e-02 5.10 -2.579536440e-02 -2.579536440e-02 5.12 -2.248579175e-02 -2.248579175e-02 5.14 -1.954968253e-02 -1.954968253e-02 5.16 -1.695789262e-02 -1.695789262e-02 5.18 -1.468008061e-02 -1.468008061e-02 5.20 -1.268638001e-02 -1.268638001e-02 5.22 -1.094769160e-02 -1.094769160e-02 5.24 -9.436182440e-03 -9.436182440e-03 5.26 -8.125732590e-03 -8.125732590e-03 5.28 -6.992213521e-03 -6.992213521e-03 5.30 -6.013628542e-03 -6.013628542e-03 5.32 -5.170145532e-03 -5.170145532e-03 5.34 -4.444050045e-03 -4.444050045e-03 5.36 -3.819643083e-03 -3.819643083e-03 5.38 -3.283103519e-03 -3.283103519e-03 5.40 -2.822330883e-03 -2.822330883e-03 5.42 -2.426780315e-03 -2.426780315e-03 5.44 -2.087298149e-03 -2.087298149e-03 5.46 -1.795963897e-03 -1.795963897e-03 5.48 -1.545942252e-03 -1.545942252e-03 5.50 -1.331347166e-03 -1.331347166e-03 5.52 -1.147118877e-03 -1.147118877e-03 5.54 -9.889139641e-04 -9.889139641e-04 5.56 -8.530079796e-04 -8.530079796e-04 5.58 -7.362098731e-04 -7.362098731e-04 5.60 -6.357872411e-04 -6.357872411e-04 5.62 -5.494013617e-04 -5.494013617e-04 5.64 -4.750509624e-04 -4.750509624e-04 5.66 -4.110237072e-04 -4.110237072e-04 5.68 -3.558544572e-04 -3.558544572e-04 5.70 -3.082894357e-04 -3.082894357e-04 5.72 -2.672555152e-04 -2.672555152e-04 5.74 -2.318339312e-04 -2.318339312e-04 5.76 -2.012378070e-04 -2.012378070e-04 5.78 -1.747929535e-04 -1.747929535e-04 5.80 -1.519214753e-04 -1.519214753e-04 5.82 -1.321277788e-04 -1.321277788e-04 5.84 -1.149866329e-04 -1.149866329e-04 5.86 -1.001329821e-04 -1.001329821e-04 5.88 -8.725325468e-05 -8.725325468e-05 5.90 -7.607794569e-05 -7.607794569e-05 5.92 -6.637528612e-05 -6.637528612e-05 5.94 -5.794583815e-05 -5.794583815e-05 5.96 -5.061787919e-05 -5.061787919e-05 5.98 -4.424345811e-05 -4.424345811e-05 6.00 -3.869502446e-05 -3.869502446e-05