# 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 = AgFeW2 # 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 3.646810101e+02 3.646810101e+02 1.30 3.356975249e+02 3.356975249e+02 1.32 3.090294556e+02 3.090294556e+02 1.34 2.844715565e+02 2.844715565e+02 1.36 2.618350819e+02 2.618350819e+02 1.38 2.409488772e+02 2.409488772e+02 1.40 2.216606076e+02 2.216606076e+02 1.42 2.038367118e+02 2.038367118e+02 1.44 1.873606267e+02 1.873606267e+02 1.46 1.721298463e+02 1.721298463e+02 1.48 1.580528558e+02 1.580528558e+02 1.50 1.450466911e+02 1.450466911e+02 1.52 1.330352385e+02 1.330352385e+02 1.54 1.219480635e+02 1.219480635e+02 1.56 1.117195875e+02 1.117195875e+02 1.58 1.022885019e+02 1.022885019e+02 1.60 9.359730095e+01 9.359730095e+01 1.62 8.559184008e+01 8.559184008e+01 1.64 7.822090402e+01 7.822090402e+01 1.66 7.143583907e+01 7.143583907e+01 1.68 6.519033302e+01 6.519033302e+01 1.70 5.944039296e+01 5.944039296e+01 1.72 5.414449708e+01 5.414449708e+01 1.74 4.926383440e+01 4.926383440e+01 1.76 4.476254004e+01 4.476254004e+01 1.78 4.060786697e+01 4.060786697e+01 1.80 3.677061435e+01 3.677061435e+01 1.82 3.322567333e+01 3.322567333e+01 1.84 2.994984456e+01 2.994984456e+01 1.86 2.692273082e+01 2.692273082e+01 1.88 2.412709305e+01 2.412709305e+01 1.90 2.154824344e+01 2.154824344e+01 1.92 1.917188429e+01 1.917188429e+01 1.94 1.698477384e+01 1.698477384e+01 1.96 1.497436531e+01 1.497436531e+01 1.98 1.312856999e+01 1.312856999e+01 2.00 1.143565841e+01 1.143565841e+01 2.02 9.884251361e+00 9.884251361e+00 2.04 8.463348160e+00 8.463348160e+00 2.06 7.162358292e+00 7.162358292e+00 2.08 5.971128843e+00 5.971128843e+00 2.10 4.879981641e+00 4.879981641e+00 2.12 3.879778081e+00 3.879778081e+00 2.14 2.962015526e+00 2.962015526e+00 2.16 2.118937431e+00 2.118937431e+00 2.18 1.343624487e+00 1.343624487e+00 2.20 6.300352532e-01 6.300352532e-01 2.22 -2.701952316e-02 -2.701952316e-02 2.24 -6.319635322e-01 -6.319635322e-01 2.26 -1.188580897e+00 -1.188580897e+00 2.28 -1.700154391e+00 -1.700154391e+00 2.30 -2.169592939e+00 -2.169592939e+00 2.32 -2.599534865e+00 -2.599534865e+00 2.34 -2.992422634e+00 -2.992422634e+00 2.36 -3.350551496e+00 -3.350551496e+00 2.38 -3.676023814e+00 -3.676023814e+00 2.40 -3.970794257e+00 -3.970794257e+00 2.42 -4.237035952e+00 -4.237035952e+00 2.44 -4.476797938e+00 -4.476797938e+00 2.46 -4.691990912e+00 -4.691990912e+00 2.48 -4.884393001e+00 -4.884393001e+00 2.50 -5.055654147e+00 -5.055654147e+00 2.52 -5.207294630e+00 -5.207294630e+00 2.54 -5.340393523e+00 -5.340393523e+00 2.56 -5.455494054e+00 -5.455494054e+00 2.58 -5.553147636e+00 -5.553147636e+00 2.60 -5.633941938e+00 -5.633941938e+00 2.62 -5.698482290e+00 -5.698482290e+00 2.64 -5.747375842e+00 -5.747375842e+00 2.66 -5.781217783e+00 -5.781217783e+00 2.68 -5.800580556e+00 -5.800580556e+00 2.70 -5.806007593e+00 -5.806007593e+00 2.72 -5.798012464e+00 -5.798012464e+00 2.74 -5.777083068e+00 -5.777083068e+00 2.76 -5.743689691e+00 -5.743689691e+00 2.78 -5.698295731e+00 -5.698295731e+00 2.80 -5.641370416e+00 -5.641370416e+00 2.82 -5.573403418e+00 -5.573403418e+00 2.84 -5.494921412e+00 -5.494921412e+00 2.86 -5.406506175e+00 -5.406506175e+00 2.88 -5.308813090e+00 -5.308813090e+00 2.90 -5.202587913e+00 -5.202587913e+00 2.92 -5.088678916e+00 -5.088678916e+00 2.94 -4.968043016e+00 -4.968043016e+00 2.96 -4.841737019e+00 -4.841737019e+00 2.98 -4.710893159e+00 -4.710893159e+00 3.00 -4.576694207e+00 -4.576694207e+00 3.02 -4.440331049e+00 -4.440331049e+00 3.04 -4.302954884e+00 -4.302954884e+00 3.06 -4.165733927e+00 -4.165733927e+00 3.08 -4.029560691e+00 -4.029560691e+00 3.10 -3.895042452e+00 -3.895042452e+00 3.12 -3.762507182e+00 -3.762507182e+00 3.14 -3.632091287e+00 -3.632091287e+00 3.16 -3.503804585e+00 -3.503804585e+00 3.18 -3.377548898e+00 -3.377548898e+00 3.20 -3.253152430e+00 -3.253152430e+00 3.22 -3.130402083e+00 -3.130402083e+00 3.24 -3.009058499e+00 -3.009058499e+00 3.26 -2.888880672e+00 -2.888880672e+00 3.28 -2.769647770e+00 -2.769647770e+00 3.30 -2.651177100e+00 -2.651177100e+00 3.32 -2.533338999e+00 -2.533338999e+00 3.34 -2.416069552e+00 -2.416069552e+00 3.36 -2.299381657e+00 -2.299381657e+00 3.38 -2.183374283e+00 -2.183374283e+00 3.40 -2.068238945e+00 -2.068238945e+00 3.42 -1.954261861e+00 -1.954261861e+00 3.44 -1.841820054e+00 -1.841820054e+00 3.46 -1.731370076e+00 -1.731370076e+00 3.48 -1.623428952e+00 -1.623428952e+00 3.50 -1.518548216e+00 -1.518548216e+00 3.52 -1.417283192e+00 -1.417283192e+00 3.54 -1.320160633e+00 -1.320160633e+00 3.56 -1.227648247e+00 -1.227648247e+00 3.58 -1.140129348e+00 -1.140129348e+00 3.60 -1.057885014e+00 -1.057885014e+00 3.62 -9.810849679e-01 -9.810849679e-01 3.64 -9.097870978e-01 -9.097870978e-01 3.66 -8.439444992e-01 -8.439444992e-01 3.68 -7.834182225e-01 -7.834182225e-01 3.70 -7.279936089e-01 -7.279936089e-01 3.72 -6.773981752e-01 -6.773981752e-01 3.74 -6.313193274e-01 -6.313193274e-01 3.76 -5.894206314e-01 -5.894206314e-01 3.78 -5.513558441e-01 -5.513558441e-01 3.80 -5.167803308e-01 -5.167803308e-01 3.82 -4.853598208e-01 -4.853598208e-01 3.84 -4.567766866e-01 -4.567766866e-01 3.86 -4.307340632e-01 -4.307340632e-01 3.88 -4.069581860e-01 -4.069581860e-01 3.90 -3.851993306e-01 -3.851993306e-01 3.92 -3.652317081e-01 -3.652317081e-01 3.94 -3.468526270e-01 -3.468526270e-01 3.96 -3.298811683e-01 -3.298811683e-01 3.98 -3.141565832e-01 -3.141565832e-01 4.00 -2.995365602e-01 -2.995365602e-01 4.02 -2.858954756e-01 -2.858954756e-01 4.04 -2.731227028e-01 -2.731227028e-01 4.06 -2.611210418e-01 -2.611210418e-01 4.08 -2.498052935e-01 -2.498052935e-01 4.10 -2.391008807e-01 -2.391008807e-01 4.12 -2.289428207e-01 -2.289428207e-01 4.14 -2.192752537e-01 -2.192752537e-01 4.16 -2.100501470e-01 -2.100501470e-01 4.18 -2.012266674e-01 -2.012266674e-01 4.20 -1.927706498e-01 -1.927706498e-01 4.22 -1.846540986e-01 -1.846540986e-01 4.24 -1.768546821e-01 -1.768546821e-01 4.26 -1.693551837e-01 -1.693551837e-01 4.28 -1.621428737e-01 -1.621428737e-01 4.30 -1.552087816e-01 -1.552087816e-01 4.32 -1.485468681e-01 -1.485468681e-01 4.34 -1.421531184e-01 -1.421531184e-01 4.36 -1.360246066e-01 -1.360246066e-01 4.38 -1.301585900e-01 -1.301585900e-01 4.40 -1.245517045e-01 -1.245517045e-01 4.42 -1.191993261e-01 -1.191993261e-01 4.44 -1.140951378e-01 -1.140951378e-01 4.46 -1.092309172e-01 -1.092309172e-01 4.48 -1.045962398e-01 -1.045962398e-01 4.50 -1.001792284e-01 -1.001792284e-01 4.52 -9.596685026e-02 -9.596685026e-02 4.54 -9.194488437e-02 -9.194488437e-02 4.56 -8.809835928e-02 -8.809835928e-02 4.58 -8.441196601e-02 -8.441196601e-02 4.60 -8.087042176e-02 -8.087042176e-02 4.62 -7.745877320e-02 -7.745877320e-02 4.64 -7.416263934e-02 -7.416263934e-02 4.66 -7.096840136e-02 -7.096840136e-02 4.68 -6.786335100e-02 -6.786335100e-02 4.70 -6.483581086e-02 -6.483581086e-02 4.72 -6.187523907e-02 -6.187523907e-02 4.74 -5.897232883e-02 -5.897232883e-02 4.76 -5.611911010e-02 -5.611911010e-02 4.78 -5.330905681e-02 -5.330905681e-02 4.80 -5.053719801e-02 -5.053719801e-02 4.82 -4.780023106e-02 -4.780023106e-02 4.84 -4.509661772e-02 -4.509661772e-02 4.86 -4.242666189e-02 -4.242666189e-02 4.88 -3.979254267e-02 -3.979254267e-02 4.90 -3.719828889e-02 -3.719828889e-02 4.92 -3.464967825e-02 -3.464967825e-02 4.94 -3.215404848e-02 -3.215404848e-02 4.96 -2.972001514e-02 -2.972001514e-02 4.98 -2.735710163e-02 -2.735710163e-02 5.00 -2.507529564e-02 -2.507529564e-02 5.02 -2.288455826e-02 -2.288455826e-02 5.04 -2.079432002e-02 -2.079432002e-02 5.06 -1.881300256e-02 -1.881300256e-02 5.08 -1.694749662e-02 -1.694749662e-02 5.10 -1.520286795e-02 -1.520286795e-02 5.12 -1.358257212e-02 -1.358257212e-02 5.14 -1.208801125e-02 -1.208801125e-02 5.16 -1.071856412e-02 -1.071856412e-02 5.18 -9.471740674e-03 -9.471740674e-03 5.20 -8.343417608e-03 -8.343417608e-03 5.22 -7.328126687e-03 -7.328126687e-03 5.24 -6.419367586e-03 -6.419367586e-03 5.26 -5.609920354e-03 -5.609920354e-03 5.28 -4.892137861e-03 -4.892137861e-03 5.30 -4.258204585e-03 -4.258204585e-03 5.32 -3.700353946e-03 -3.700353946e-03 5.34 -3.211041403e-03 -3.211041403e-03 5.36 -2.783074398e-03 -2.783074398e-03 5.38 -2.409702873e-03 -2.409702873e-03 5.40 -2.084675658e-03 -2.084675658e-03 5.42 -1.802268657e-03 -1.802268657e-03 5.44 -1.557290761e-03 -1.557290761e-03 5.46 -1.345072977e-03 -1.345072977e-03 5.48 -1.161445592e-03 -1.161445592e-03 5.50 -1.002707362e-03 -1.002707362e-03 5.52 -8.655899798e-04 -8.655899798e-04 5.54 -7.472203122e-04 -7.472203122e-04 5.56 -6.450822547e-04 -6.450822547e-04 5.58 -5.569795440e-04 -5.569795440e-04 5.60 -4.810004107e-04 -4.810004107e-04 5.62 -4.154846324e-04 -4.154846324e-04 5.64 -3.589932855e-04 -3.589932855e-04 5.66 -3.102813113e-04 -3.102813113e-04 5.68 -2.682728758e-04 -2.682728758e-04 5.70 -2.320394182e-04 -2.320394182e-04 5.72 -2.007802218e-04 -2.007802218e-04 5.74 -1.738053143e-04 -1.738053143e-04 5.76 -1.505204851e-04 -1.505204851e-04 5.78 -1.304142091e-04 -1.304142091e-04 5.80 -1.130462708e-04 -1.130462708e-04 5.82 -9.803789389e-05 -9.803789389e-05 5.84 -8.506319552e-05 -8.506319552e-05 5.86 -7.384180268e-05 -7.384180268e-05 5.88 -6.413248096e-05 -6.413248096e-05 5.90 -5.572764461e-05 -5.572764461e-05 5.92 -4.844863047e-05 -4.844863047e-05 5.94 -4.214163287e-05 -4.214163287e-05 5.96 -3.667420924e-05 -3.667420924e-05 5.98 -3.193227780e-05 -3.193227780e-05 6.00 -2.781753897e-05 -2.781753897e-05