# 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 = CuNiW2 # 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 2.476121832e+02 2.476121832e+02 1.30 2.274552798e+02 2.274552798e+02 1.32 2.089349323e+02 2.089349323e+02 1.34 1.919041539e+02 1.919041539e+02 1.36 1.762248280e+02 1.762248280e+02 1.38 1.617697957e+02 1.617697957e+02 1.40 1.484253360e+02 1.484253360e+02 1.42 1.360928175e+02 1.360928175e+02 1.44 1.246882779e+02 1.246882779e+02 1.46 1.141398832e+02 1.141398832e+02 1.48 1.043845633e+02 1.043845633e+02 1.50 9.536534631e+01 9.536534631e+01 1.52 8.703006752e+01 8.703006752e+01 1.54 7.933099127e+01 7.933099127e+01 1.56 7.222446980e+01 7.222446980e+01 1.58 6.567031249e+01 6.567031249e+01 1.60 5.963116458e+01 5.963116458e+01 1.62 5.407214725e+01 5.407214725e+01 1.64 4.896062226e+01 4.896062226e+01 1.66 4.426583851e+01 4.426583851e+01 1.68 3.995842084e+01 3.995842084e+01 1.70 3.600983120e+01 3.600983120e+01 1.72 3.239195436e+01 3.239195436e+01 1.74 2.907693640e+01 2.907693640e+01 1.76 2.603736253e+01 2.603736253e+01 1.78 2.324708054e+01 2.324708054e+01 1.80 2.068253036e+01 2.068253036e+01 1.82 1.832136036e+01 1.832136036e+01 1.84 1.614401735e+01 1.614401735e+01 1.86 1.413410103e+01 1.413410103e+01 1.88 1.227816194e+01 1.227816194e+01 1.90 1.056528896e+01 1.056528896e+01 1.92 8.986495004e+00 8.986495004e+00 1.94 7.534015884e+00 7.534015884e+00 1.96 6.200775668e+00 6.200775668e+00 1.98 4.980014915e+00 4.980014915e+00 2.00 3.865064769e+00 3.865064769e+00 2.02 2.849221170e+00 2.849221170e+00 2.04 1.925681569e+00 1.925681569e+00 2.06 1.087529494e+00 1.087529494e+00 2.08 3.277696012e-01 3.277696012e-01 2.10 -3.605804082e-01 -3.605804082e-01 2.12 -9.843439127e-01 -9.843439127e-01 2.14 -1.550005508e+00 -1.550005508e+00 2.16 -2.063533081e+00 -2.063533081e+00 2.18 -2.530242722e+00 -2.530242722e+00 2.20 -2.954736596e+00 -2.954736596e+00 2.22 -3.340921766e+00 -3.340921766e+00 2.24 -3.692095527e+00 -3.692095527e+00 2.26 -4.011069888e+00 -4.011069888e+00 2.28 -4.300306086e+00 -4.300306086e+00 2.30 -4.562033988e+00 -4.562033988e+00 2.32 -4.798336430e+00 -4.798336430e+00 2.34 -5.011186336e+00 -5.011186336e+00 2.36 -5.202334645e+00 -5.202334645e+00 2.38 -5.373405487e+00 -5.373405487e+00 2.40 -5.526141647e+00 -5.526141647e+00 2.42 -5.662031483e+00 -5.662031483e+00 2.44 -5.782326020e+00 -5.782326020e+00 2.46 -5.888084081e+00 -5.888084081e+00 2.48 -5.980219427e+00 -5.980219427e+00 2.50 -6.059521600e+00 -6.059521600e+00 2.52 -6.126326058e+00 -6.126326058e+00 2.54 -6.180632712e+00 -6.180632712e+00 2.56 -6.222522015e+00 -6.222522015e+00 2.58 -6.252142195e+00 -6.252142195e+00 2.60 -6.269688541e+00 -6.269688541e+00 2.62 -6.275393102e+00 -6.275393102e+00 2.64 -6.269522616e+00 -6.269522616e+00 2.66 -6.252381673e+00 -6.252381673e+00 2.68 -6.224317473e+00 -6.224317473e+00 2.70 -6.185722433e+00 -6.185722433e+00 2.72 -6.137031666e+00 -6.137031666e+00 2.74 -6.078714253e+00 -6.078714253e+00 2.76 -6.011260575e+00 -6.011260575e+00 2.78 -5.935166219e+00 -5.935166219e+00 2.80 -5.850924332e+00 -5.850924332e+00 2.82 -5.759025785e+00 -5.759025785e+00 2.84 -5.659968061e+00 -5.659968061e+00 2.86 -5.554273030e+00 -5.554273030e+00 2.88 -5.442509908e+00 -5.442509908e+00 2.90 -5.325421738e+00 -5.325421738e+00 2.92 -5.203823519e+00 -5.203823519e+00 2.94 -5.078218082e+00 -5.078218082e+00 2.96 -4.949219403e+00 -4.949219403e+00 2.98 -4.817576135e+00 -4.817576135e+00 3.00 -4.684128723e+00 -4.684128723e+00 3.02 -4.549757124e+00 -4.549757124e+00 3.04 -4.415323727e+00 -4.415323727e+00 3.06 -4.281620793e+00 -4.281620793e+00 3.08 -4.149343917e+00 -4.149343917e+00 3.10 -4.019038752e+00 -4.019038752e+00 3.12 -3.891069289e+00 -3.891069289e+00 3.14 -3.765615104e+00 -3.765615104e+00 3.16 -3.642683424e+00 -3.642683424e+00 3.18 -3.522132704e+00 -3.522132704e+00 3.20 -3.403703941e+00 -3.403703941e+00 3.22 -3.287056086e+00 -3.287056086e+00 3.24 -3.171802577e+00 -3.171802577e+00 3.26 -3.057546851e+00 -3.057546851e+00 3.28 -2.943915430e+00 -2.943915430e+00 3.30 -2.830587643e+00 -2.830587643e+00 3.32 -2.717321315e+00 -2.717321315e+00 3.34 -2.603973683e+00 -2.603973683e+00 3.36 -2.490516751e+00 -2.490516751e+00 3.38 -2.377046145e+00 -2.377046145e+00 3.40 -2.263782570e+00 -2.263782570e+00 3.42 -2.151065205e+00 -2.151065205e+00 3.44 -2.039336862e+00 -2.039336862e+00 3.46 -1.929121435e+00 -1.929121435e+00 3.48 -1.820995049e+00 -1.820995049e+00 3.50 -1.715553105e+00 -1.715553105e+00 3.52 -1.613376067e+00 -1.613376067e+00 3.54 -1.514997087e+00 -1.514997087e+00 3.56 -1.420874345e+00 -1.420874345e+00 3.58 -1.331370378e+00 -1.331370378e+00 3.60 -1.246739723e+00 -1.246739723e+00 3.62 -1.167125134e+00 -1.167125134e+00 3.64 -1.092561699e+00 -1.092561699e+00 3.66 -1.022987407e+00 -1.022987407e+00 3.68 -9.582583260e-01 -9.582583260e-01 3.70 -8.981664247e-01 -8.981664247e-01 3.72 -8.424582134e-01 -8.424582134e-01 3.74 -7.908526666e-01 -7.908526666e-01 3.76 -7.430572522e-01 -7.430572522e-01 3.78 -6.987812559e-01 -6.987812559e-01 3.80 -6.577459249e-01 -6.577459249e-01 3.82 -6.196912573e-01 -6.196912573e-01 3.84 -5.843795373e-01 -5.843795373e-01 3.86 -5.515959762e-01 -5.515959762e-01 3.88 -5.211470387e-01 -5.211470387e-01 3.90 -4.928572050e-01 -4.928572050e-01 3.92 -4.665649885e-01 -4.665649885e-01 3.94 -4.421189841e-01 -4.421189841e-01 3.96 -4.193745574e-01 -4.193745574e-01 3.98 -3.981915431e-01 -3.981915431e-01 4.00 -3.784330541e-01 -3.784330541e-01 4.02 -3.599652792e-01 -3.599652792e-01 4.04 -3.426580022e-01 -3.426580022e-01 4.06 -3.263855293e-01 -3.263855293e-01 4.08 -3.110277372e-01 -3.110277372e-01 4.10 -2.964710350e-01 -2.964710350e-01 4.12 -2.826091288e-01 -2.826091288e-01 4.14 -2.693435633e-01 -2.693435633e-01 4.16 -2.565839525e-01 -2.565839525e-01 4.18 -2.442480828e-01 -2.442480828e-01 4.20 -2.322630952e-01 -2.322630952e-01 4.22 -2.205648641e-01 -2.205648641e-01 4.24 -2.090983277e-01 -2.090983277e-01 4.26 -1.978180556e-01 -1.978180556e-01 4.28 -1.866889033e-01 -1.866889033e-01 4.30 -1.756867207e-01 -1.756867207e-01 4.32 -1.647990292e-01 -1.647990292e-01 4.34 -1.540255429e-01 -1.540255429e-01 4.36 -1.433783759e-01 -1.433783759e-01 4.38 -1.328817694e-01 -1.328817694e-01 4.40 -1.225711913e-01 -1.225711913e-01 4.42 -1.124917099e-01 -1.124917099e-01 4.44 -1.026956298e-01 -1.026956298e-01 4.46 -9.323947882e-02 -9.323947882e-02 4.48 -8.418054975e-02 -8.418054975e-02 4.50 -7.557328685e-02 -7.557328685e-02 4.52 -6.746586075e-02 -6.746586075e-02 4.54 -5.989726712e-02 -5.989726712e-02 4.56 -5.289522162e-02 -5.289522162e-02 4.58 -4.647501369e-02 -4.647501369e-02 4.60 -4.063935115e-02 -4.063935115e-02 4.62 -3.537910266e-02 -3.537910266e-02 4.64 -3.067475010e-02 -3.067475010e-02 4.66 -2.649830675e-02 -2.649830675e-02 4.68 -2.281545907e-02 -2.281545907e-02 4.70 -1.958770660e-02 -1.958770660e-02 4.72 -1.677417993e-02 -1.677417993e-02 4.74 -1.433326743e-02 -1.433326743e-02 4.76 -1.222493841e-02 -1.222493841e-02 4.78 -1.041084708e-02 -1.041084708e-02 4.80 -8.855035951e-03 -8.855035951e-03 4.82 -7.524425188e-03 -7.524425188e-03 4.84 -6.389051639e-03 -6.389051639e-03 4.86 -5.422119942e-03 -5.422119942e-03 4.88 -4.599919382e-03 -4.599919382e-03 4.90 -3.901651884e-03 -3.901651884e-03 4.92 -3.309206620e-03 -3.309206620e-03 4.94 -2.806907989e-03 -2.806907989e-03 4.96 -2.381256194e-03 -2.381256194e-03 4.98 -2.020673506e-03 -2.020673506e-03 5.00 -1.715264616e-03 -1.715264616e-03 5.02 -1.456595905e-03 -1.456595905e-03 5.04 -1.237495956e-03 -1.237495956e-03 5.06 -1.051877868e-03 -1.051877868e-03 5.08 -8.945827909e-04 -8.945827909e-04 5.10 -7.612433982e-04 -7.612433982e-04 5.12 -6.481656266e-04 -6.481656266e-04 5.14 -5.522268380e-04 -5.522268380e-04 5.16 -4.707885446e-04 -4.707885446e-04 5.18 -4.016219053e-04 -4.016219053e-04 5.20 -3.428443210e-04 -3.428443210e-04 5.22 -2.928656148e-04 -2.928656148e-04 5.24 -2.503424388e-04 -2.503424388e-04 5.26 -2.141397133e-04 -2.141397133e-04 5.28 -1.832980535e-04 -1.832980535e-04 5.30 -1.570062809e-04 -1.570062809e-04 5.32 -1.345782422e-04 -1.345782422e-04 5.34 -1.154332689e-04 -1.154332689e-04 5.36 -9.907971355e-05 -9.907971355e-05 5.38 -8.510107739e-05 -8.510107739e-05 5.40 -7.314432441e-05 -7.314432441e-05 5.42 -6.291003489e-05 -6.291003489e-05 5.44 -5.414410810e-05 -5.414410810e-05 5.46 -4.663076838e-05 -4.663076838e-05 5.48 -4.018666803e-05 -4.018666803e-05 5.50 -3.465591312e-05 -3.465591312e-05 5.52 -2.990586590e-05 -2.990586590e-05 5.54 -2.582360092e-05 -2.582360092e-05 5.56 -2.231291159e-05 -2.231291159e-05 5.58 -1.929178016e-05 -1.929178016e-05 5.60 -1.669023839e-05 -1.669023839e-05 5.62 -1.444855736e-05 -1.444855736e-05 5.64 -1.251571493e-05 -1.251571493e-05 5.66 -1.084809746e-05 -1.084809746e-05 5.68 -9.408399277e-06 -9.408399277e-06 5.70 -8.164689158e-06 -8.164689158e-06 5.72 -7.089618055e-06 -7.089618055e-06 5.74 -6.159746158e-06 -6.159746158e-06 5.76 -5.354970993e-06 -5.354970993e-06 5.78 -4.658041080e-06 -4.658041080e-06 5.80 -4.054142051e-06 -4.054142051e-06 5.82 -3.530544223e-06 -3.530544223e-06 5.84 -3.076302294e-06 -3.076302294e-06 5.86 -2.681999283e-06 -2.681999283e-06 5.88 -2.339528062e-06 -2.339528062e-06 5.90 -2.041904831e-06 -2.041904831e-06 5.92 -1.783109771e-06 -1.783109771e-06 5.94 -1.557950815e-06 -1.557950815e-06 5.96 -1.361947118e-06 -1.361947118e-06 5.98 -1.191229319e-06 -1.191229319e-06 6.00 -1.042454099e-06 -1.042454099e-06