# 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 = MoPbZr2 # 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 4.507860023e+02 4.507860023e+02 1.30 4.208960176e+02 4.208960176e+02 1.32 3.930905626e+02 3.930905626e+02 1.34 3.672146596e+02 3.672146596e+02 1.36 3.431261421e+02 3.431261421e+02 1.38 3.206926395e+02 3.206926395e+02 1.40 2.997898121e+02 2.997898121e+02 1.42 2.803011193e+02 2.803011193e+02 1.44 2.621182857e+02 2.621182857e+02 1.46 2.451413483e+02 2.451413483e+02 1.48 2.292783703e+02 2.292783703e+02 1.50 2.144454669e+02 2.144454669e+02 1.52 2.005670988e+02 2.005670988e+02 1.54 1.875758135e+02 1.875758135e+02 1.56 1.754113503e+02 1.754113503e+02 1.58 1.640192938e+02 1.640192938e+02 1.60 1.533497887e+02 1.533497887e+02 1.62 1.433565197e+02 1.433565197e+02 1.64 1.339961508e+02 1.339961508e+02 1.66 1.252280340e+02 1.252280340e+02 1.68 1.170140980e+02 1.170140980e+02 1.70 1.093187719e+02 1.093187719e+02 1.72 1.021087384e+02 1.021087384e+02 1.74 9.535260817e+01 9.535260817e+01 1.76 8.902064333e+01 8.902064333e+01 1.78 8.308464886e+01 8.308464886e+01 1.80 7.751800224e+01 7.751800224e+01 1.82 7.229573112e+01 7.229573112e+01 1.84 6.739460782e+01 6.739460782e+01 1.86 6.279323889e+01 6.279323889e+01 1.88 5.847201631e+01 5.847201631e+01 1.90 5.441292708e+01 5.441292708e+01 1.92 5.059930827e+01 5.059930827e+01 1.94 4.701558603e+01 4.701558603e+01 1.96 4.364754954e+01 4.364754954e+01 1.98 4.048216467e+01 4.048216467e+01 2.00 3.750723671e+01 3.750723671e+01 2.02 3.471365132e+01 3.471365132e+01 2.04 3.209384091e+01 3.209384091e+01 2.06 2.963694458e+01 2.963694458e+01 2.08 2.733256740e+01 2.733256740e+01 2.10 2.517099219e+01 2.517099219e+01 2.12 2.314314182e+01 2.314314182e+01 2.14 2.124056221e+01 2.124056221e+01 2.16 1.945540137e+01 1.945540137e+01 2.18 1.778037609e+01 1.778037609e+01 2.20 1.620874413e+01 1.620874413e+01 2.22 1.473424947e+01 1.473424947e+01 2.24 1.335107583e+01 1.335107583e+01 2.26 1.205381129e+01 1.205381129e+01 2.28 1.083740647e+01 1.083740647e+01 2.30 9.697175092e+00 9.697175092e+00 2.32 8.628740092e+00 8.628740092e+00 2.34 7.627998577e+00 7.627998577e+00 2.36 6.691072325e+00 6.691072325e+00 2.38 5.814268784e+00 5.814268784e+00 2.40 4.994054578e+00 4.994054578e+00 2.42 4.227036221e+00 4.227036221e+00 2.44 3.509964929e+00 3.509964929e+00 2.46 2.839739948e+00 2.839739948e+00 2.48 2.213427352e+00 2.213427352e+00 2.50 1.628279135e+00 1.628279135e+00 2.52 1.081745625e+00 1.081745625e+00 2.54 5.714758604e-01 5.714758604e-01 2.56 9.530647008e-02 9.530647008e-02 2.58 -3.487565899e-01 -3.487565899e-01 2.60 -7.625591994e-01 -7.625591994e-01 2.62 -1.147819066e+00 -1.147819066e+00 2.64 -1.506153012e+00 -1.506153012e+00 2.66 -1.839084653e+00 -1.839084653e+00 2.68 -2.148066997e+00 -2.148066997e+00 2.70 -2.434490559e+00 -2.434490559e+00 2.72 -2.699688114e+00 -2.699688114e+00 2.74 -2.944933796e+00 -2.944933796e+00 2.76 -3.171437258e+00 -3.171437258e+00 2.78 -3.380332227e+00 -3.380332227e+00 2.80 -3.572721009e+00 -3.572721009e+00 2.82 -3.749635546e+00 -3.749635546e+00 2.84 -3.911842703e+00 -3.911842703e+00 2.86 -4.060032048e+00 -4.060032048e+00 2.88 -4.194828324e+00 -4.194828324e+00 2.90 -4.316796386e+00 -4.316796386e+00 2.92 -4.426427616e+00 -4.426427616e+00 2.94 -4.524109272e+00 -4.524109272e+00 2.96 -4.610342822e+00 -4.610342822e+00 2.98 -4.685556096e+00 -4.685556096e+00 3.00 -4.749964073e+00 -4.749964073e+00 3.02 -4.803776436e+00 -4.803776436e+00 3.04 -4.847243191e+00 -4.847243191e+00 3.06 -4.880669880e+00 -4.880669880e+00 3.08 -4.904388740e+00 -4.904388740e+00 3.10 -4.918774885e+00 -4.918774885e+00 3.12 -4.924221860e+00 -4.924221860e+00 3.14 -4.921070271e+00 -4.921070271e+00 3.16 -4.909652445e+00 -4.909652445e+00 3.18 -4.890346739e+00 -4.890346739e+00 3.20 -4.863564420e+00 -4.863564420e+00 3.22 -4.829740842e+00 -4.829740842e+00 3.24 -4.789328559e+00 -4.789328559e+00 3.26 -4.742793117e+00 -4.742793117e+00 3.28 -4.690611325e+00 -4.690611325e+00 3.30 -4.633270761e+00 -4.633270761e+00 3.32 -4.571268886e+00 -4.571268886e+00 3.34 -4.505110570e+00 -4.505110570e+00 3.36 -4.435303853e+00 -4.435303853e+00 3.38 -4.362354739e+00 -4.362354739e+00 3.40 -4.286760439e+00 -4.286760439e+00 3.42 -4.209011987e+00 -4.209011987e+00 3.44 -4.129579569e+00 -4.129579569e+00 3.46 -4.048916717e+00 -4.048916717e+00 3.48 -3.967454006e+00 -3.967454006e+00 3.50 -3.885593962e+00 -3.885593962e+00 3.52 -3.803705362e+00 -3.803705362e+00 3.54 -3.722117647e+00 -3.722117647e+00 3.56 -3.641116282e+00 -3.641116282e+00 3.58 -3.560939828e+00 -3.560939828e+00 3.60 -3.481779152e+00 -3.481779152e+00 3.62 -3.403778897e+00 -3.403778897e+00 3.64 -3.327041010e+00 -3.327041010e+00 3.66 -3.251649364e+00 -3.251649364e+00 3.68 -3.177639715e+00 -3.177639715e+00 3.70 -3.105001768e+00 -3.105001768e+00 3.72 -3.033712283e+00 -3.033712283e+00 3.74 -2.963741731e+00 -2.963741731e+00 3.76 -2.895060572e+00 -2.895060572e+00 3.78 -2.827644806e+00 -2.827644806e+00 3.80 -2.761480407e+00 -2.761480407e+00 3.82 -2.696566231e+00 -2.696566231e+00 3.84 -2.632914971e+00 -2.632914971e+00 3.86 -2.570551051e+00 -2.570551051e+00 3.88 -2.509503892e+00 -2.509503892e+00 3.90 -2.449805896e+00 -2.449805896e+00 3.92 -2.391484529e+00 -2.391484529e+00 3.94 -2.334572089e+00 -2.334572089e+00 3.96 -2.279075377e+00 -2.279075377e+00 3.98 -2.224990651e+00 -2.224990651e+00 4.00 -2.172298221e+00 -2.172298221e+00 4.02 -2.120963852e+00 -2.120963852e+00 4.04 -2.070941637e+00 -2.070941637e+00 4.06 -2.022177586e+00 -2.022177586e+00 4.08 -1.974613269e+00 -1.974613269e+00 4.10 -1.928180281e+00 -1.928180281e+00 4.12 -1.882839447e+00 -1.882839447e+00 4.14 -1.838524887e+00 -1.838524887e+00 4.16 -1.795185685e+00 -1.795185685e+00 4.18 -1.752775672e+00 -1.752775672e+00 4.20 -1.711253549e+00 -1.711253549e+00 4.22 -1.670582724e+00 -1.670582724e+00 4.24 -1.630730991e+00 -1.630730991e+00 4.26 -1.591670123e+00 -1.591670123e+00 4.28 -1.553375447e+00 -1.553375447e+00 4.30 -1.515825443e+00 -1.515825443e+00 4.32 -1.479001367e+00 -1.479001367e+00 4.34 -1.442886926e+00 -1.442886926e+00 4.36 -1.407467982e+00 -1.407467982e+00 4.38 -1.372732296e+00 -1.372732296e+00 4.40 -1.338669286e+00 -1.338669286e+00 4.42 -1.305269796e+00 -1.305269796e+00 4.44 -1.272525880e+00 -1.272525880e+00 4.46 -1.240430580e+00 -1.240430580e+00 4.48 -1.208977712e+00 -1.208977712e+00 4.50 -1.178161654e+00 -1.178161654e+00 4.52 -1.147977148e+00 -1.147977148e+00 4.54 -1.118419105e+00 -1.118419105e+00 4.56 -1.089482441e+00 -1.089482441e+00 4.58 -1.061161926e+00 -1.061161926e+00 4.60 -1.033452059e+00 -1.033452059e+00 4.62 -1.006346972e+00 -1.006346972e+00 4.64 -9.798403590e-01 -9.798403590e-01 4.66 -9.539254279e-01 -9.539254279e-01 4.68 -9.285948783e-01 -9.285948783e-01 4.70 -9.038408974e-01 -9.038408974e-01 4.72 -8.796551709e-01 -8.796551709e-01 4.74 -8.560289073e-01 -8.560289073e-01 4.76 -8.329528688e-01 -8.329528688e-01 4.78 -8.104174066e-01 -8.104174066e-01 4.80 -7.884057976e-01 -7.884057976e-01 4.82 -7.669222041e-01 -7.669222041e-01 4.84 -7.459479390e-01 -7.459479390e-01 4.86 -7.254720887e-01 -7.254720887e-01 4.88 -7.054834802e-01 -7.054834802e-01 4.90 -6.859707044e-01 -6.859707044e-01 4.92 -6.669221382e-01 -6.669221382e-01 4.94 -6.483259652e-01 -6.483259652e-01 4.96 -6.301701995e-01 -6.301701995e-01 4.98 -6.124427115e-01 -6.124427115e-01 5.00 -5.951312597e-01 -5.951312597e-01 5.02 -5.782235293e-01 -5.782235293e-01 5.04 -5.617071781e-01 -5.617071781e-01 5.06 -5.455698915e-01 -5.455698915e-01 5.08 -5.297994472e-01 -5.297994472e-01 5.10 -5.143837894e-01 -5.143837894e-01 5.12 -4.993111123e-01 -4.993111123e-01 5.14 -4.845699540e-01 -4.845699540e-01 5.16 -4.701492975e-01 -4.701492975e-01 5.18 -4.560386819e-01 -4.560386819e-01 5.20 -4.422283201e-01 -4.422283201e-01 5.22 -4.287092239e-01 -4.287092239e-01 5.24 -4.154733370e-01 -4.154733370e-01 5.26 -4.025136722e-01 -4.025136722e-01 5.28 -3.898244531e-01 -3.898244531e-01 5.30 -3.774012542e-01 -3.774012542e-01 5.32 -3.652411324e-01 -3.652411324e-01 5.34 -3.533427368e-01 -3.533427368e-01 5.36 -3.417063822e-01 -3.417063822e-01 5.38 -3.303340641e-01 -3.303340641e-01 5.40 -3.192293937e-01 -3.192293937e-01 5.42 -3.083974338e-01 -3.083974338e-01 5.44 -2.978444211e-01 -2.978444211e-01 5.46 -2.875773718e-01 -2.875773718e-01 5.48 -2.776035841e-01 -2.776035841e-01 5.50 -2.679300650e-01 -2.679300650e-01 5.52 -2.585629238e-01 -2.585629238e-01 5.54 -2.495067847e-01 -2.495067847e-01 5.56 -2.407642728e-01 -2.407642728e-01 5.58 -2.323356183e-01 -2.323356183e-01 5.60 -2.242184146e-01 -2.242184146e-01 5.62 -2.164075425e-01 -2.164075425e-01 5.64 -2.088952566e-01 -2.088952566e-01 5.66 -2.016714126e-01 -2.016714126e-01 5.68 -1.947237998e-01 -1.947237998e-01 5.70 -1.880385423e-01 -1.880385423e-01 5.72 -1.816005279e-01 -1.816005279e-01 5.74 -1.753938330e-01 -1.753938330e-01 5.76 -1.694021165e-01 -1.694021165e-01 5.78 -1.636089665e-01 -1.636089665e-01 5.80 -1.579981917e-01 -1.579981917e-01 5.82 -1.525540553e-01 -1.525540553e-01 5.84 -1.472614544e-01 -1.472614544e-01 5.86 -1.421060541e-01 -1.421060541e-01 5.88 -1.370743810e-01 -1.370743810e-01 5.90 -1.321538886e-01 -1.321538886e-01 5.92 -1.273330007e-01 -1.273330007e-01 5.94 -1.226011408e-01 -1.226011408e-01 5.96 -1.179487533e-01 -1.179487533e-01 5.98 -1.133672218e-01 -1.133672218e-01 6.00 -1.088490664e-01 -1.088490664e-01