# 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 = FeNi2Ta # 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 1.753936118e+02 1.753936118e+02 1.30 1.606246802e+02 1.606246802e+02 1.32 1.470478207e+02 1.470478207e+02 1.34 1.345559319e+02 1.345559319e+02 1.36 1.230568900e+02 1.230568900e+02 1.38 1.124720066e+02 1.124720066e+02 1.40 1.027325929e+02 1.027325929e+02 1.42 9.377655414e+01 9.377655414e+01 1.44 8.554573769e+01 8.554573769e+01 1.46 7.798406880e+01 7.798406880e+01 1.48 7.103665452e+01 7.103665452e+01 1.50 6.465005549e+01 6.465005549e+01 1.52 5.877355243e+01 5.877355243e+01 1.54 5.336071183e+01 5.336071183e+01 1.56 4.837037238e+01 4.837037238e+01 1.58 4.376666570e+01 4.376666570e+01 1.60 3.951838746e+01 3.951838746e+01 1.62 3.559822309e+01 3.559822309e+01 1.64 3.198202119e+01 3.198202119e+01 1.66 2.864806342e+01 2.864806342e+01 1.68 2.557663333e+01 2.557663333e+01 1.70 2.275353481e+01 2.275353481e+01 1.72 2.016189017e+01 2.016189017e+01 1.74 1.778384093e+01 1.778384093e+01 1.76 1.560251927e+01 1.560251927e+01 1.78 1.360247859e+01 1.360247859e+01 1.80 1.176980948e+01 1.176980948e+01 1.82 1.009211769e+01 1.009211769e+01 1.84 8.558325677e+00 8.558325677e+00 1.86 7.158336375e+00 7.158336375e+00 1.88 5.882657009e+00 5.882657009e+00 1.90 4.722087341e+00 4.722087341e+00 1.92 3.667542642e+00 3.667542642e+00 1.94 2.710027258e+00 2.710027258e+00 1.96 1.840730893e+00 1.840730893e+00 1.98 1.051199127e+00 1.051199127e+00 2.00 3.335285050e-01 3.335285050e-01 2.02 -3.194546870e-01 -3.194546870e-01 2.04 -9.140628225e-01 -9.140628225e-01 2.06 -1.455685733e+00 -1.455685733e+00 2.08 -1.948812570e+00 -1.948812570e+00 2.10 -2.397131334e+00 -2.397131334e+00 2.12 -2.803681248e+00 -2.803681248e+00 2.14 -3.171023804e+00 -3.171023804e+00 2.16 -3.501402926e+00 -3.501402926e+00 2.18 -3.796877402e+00 -3.796877402e+00 2.20 -4.059420787e+00 -4.059420787e+00 2.22 -4.290990893e+00 -4.290990893e+00 2.24 -4.493573793e+00 -4.493573793e+00 2.26 -4.669208691e+00 -4.669208691e+00 2.28 -4.820000636e+00 -4.820000636e+00 2.30 -4.948080437e+00 -4.948080437e+00 2.32 -5.055557892e+00 -5.055557892e+00 2.34 -5.144971276e+00 -5.144971276e+00 2.36 -5.218824666e+00 -5.218824666e+00 2.38 -5.279418588e+00 -5.279418588e+00 2.40 -5.328736758e+00 -5.328736758e+00 2.42 -5.368071622e+00 -5.368071622e+00 2.44 -5.397971286e+00 -5.397971286e+00 2.46 -5.418910397e+00 -5.418910397e+00 2.48 -5.431335920e+00 -5.431335920e+00 2.50 -5.435663552e+00 -5.435663552e+00 2.52 -5.432286400e+00 -5.432286400e+00 2.54 -5.421587534e+00 -5.421587534e+00 2.56 -5.403950702e+00 -5.403950702e+00 2.58 -5.379766754e+00 -5.379766754e+00 2.60 -5.349436608e+00 -5.349436608e+00 2.62 -5.313366181e+00 -5.313366181e+00 2.64 -5.271970415e+00 -5.271970415e+00 2.66 -5.225673805e+00 -5.225673805e+00 2.68 -5.174911011e+00 -5.174911011e+00 2.70 -5.120128290e+00 -5.120128290e+00 2.72 -5.061785548e+00 -5.061785548e+00 2.74 -5.000351826e+00 -5.000351826e+00 2.76 -4.936203837e+00 -4.936203837e+00 2.78 -4.869524216e+00 -4.869524216e+00 2.80 -4.800513084e+00 -4.800513084e+00 2.82 -4.729407063e+00 -4.729407063e+00 2.84 -4.656462850e+00 -4.656462850e+00 2.86 -4.581943568e+00 -4.581943568e+00 2.88 -4.506102863e+00 -4.506102863e+00 2.90 -4.429097964e+00 -4.429097964e+00 2.92 -4.351008461e+00 -4.351008461e+00 2.94 -4.271906490e+00 -4.271906490e+00 2.96 -4.191850858e+00 -4.191850858e+00 2.98 -4.110881660e+00 -4.110881660e+00 3.00 -4.029018309e+00 -4.029018309e+00 3.02 -3.946260652e+00 -3.946260652e+00 3.04 -3.862592590e+00 -3.862592590e+00 3.06 -3.777987534e+00 -3.777987534e+00 3.08 -3.692415098e+00 -3.692415098e+00 3.10 -3.605848558e+00 -3.605848558e+00 3.12 -3.518272753e+00 -3.518272753e+00 3.14 -3.429692156e+00 -3.429692156e+00 3.16 -3.340138839e+00 -3.340138839e+00 3.18 -3.249679959e+00 -3.249679959e+00 3.20 -3.158424231e+00 -3.158424231e+00 3.22 -3.066526654e+00 -3.066526654e+00 3.24 -2.974190631e+00 -2.974190631e+00 3.26 -2.881666629e+00 -2.881666629e+00 3.28 -2.789246691e+00 -2.789246691e+00 3.30 -2.697254555e+00 -2.697254555e+00 3.32 -2.606031725e+00 -2.606031725e+00 3.34 -2.515920519e+00 -2.515920519e+00 3.36 -2.427245702e+00 -2.427245702e+00 3.38 -2.340296687e+00 -2.340296687e+00 3.40 -2.255312266e+00 -2.255312266e+00 3.42 -2.172469484e+00 -2.172469484e+00 3.44 -2.091877642e+00 -2.091877642e+00 3.46 -2.013577672e+00 -2.013577672e+00 3.48 -1.937546424e+00 -1.937546424e+00 3.50 -1.863704927e+00 -1.863704927e+00 3.52 -1.791929381e+00 -1.791929381e+00 3.54 -1.722063649e+00 -1.722063649e+00 3.56 -1.653932127e+00 -1.653932127e+00 3.58 -1.587352149e+00 -1.587352149e+00 3.60 -1.522145320e+00 -1.522145320e+00 3.62 -1.458147457e+00 -1.458147457e+00 3.64 -1.395216984e+00 -1.395216984e+00 3.66 -1.333241779e+00 -1.333241779e+00 3.68 -1.272144488e+00 -1.272144488e+00 3.70 -1.211886341e+00 -1.211886341e+00 3.72 -1.152469446e+00 -1.152469446e+00 3.74 -1.093937459e+00 -1.093937459e+00 3.76 -1.036374482e+00 -1.036374482e+00 3.78 -9.799020212e-01 -9.799020212e-01 3.80 -9.246738629e-01 -9.246738629e-01 3.82 -8.708688380e-01 -8.708688380e-01 3.84 -8.186816325e-01 -8.186816325e-01 3.86 -7.683120307e-01 -7.683120307e-01 3.88 -7.199532536e-01 -7.199532536e-01 3.90 -6.737802902e-01 -6.737802902e-01 3.92 -6.299392568e-01 -6.299392568e-01 3.94 -5.885388026e-01 -5.885388026e-01 3.96 -5.496443710e-01 -5.496443710e-01 3.98 -5.132757607e-01 -5.132757607e-01 4.00 -4.794079849e-01 -4.794079849e-01 4.02 -4.479750026e-01 -4.479750026e-01 4.04 -4.188755910e-01 -4.188755910e-01 4.06 -3.919804895e-01 -3.919804895e-01 4.08 -3.671399716e-01 -3.671399716e-01 4.10 -3.441911472e-01 -3.441911472e-01 4.12 -3.229645147e-01 -3.229645147e-01 4.14 -3.032894918e-01 -3.032894918e-01 4.16 -2.849988513e-01 -2.849988513e-01 4.18 -2.679321191e-01 -2.679321191e-01 4.20 -2.519380822e-01 -2.519380822e-01 4.22 -2.368765936e-01 -2.368765936e-01 4.24 -2.226198691e-01 -2.226198691e-01 4.26 -2.090534496e-01 -2.090534496e-01 4.28 -1.960769674e-01 -1.960769674e-01 4.30 -1.836048012e-01 -1.836048012e-01 4.32 -1.715666646e-01 -1.715666646e-01 4.34 -1.599080906e-01 -1.599080906e-01 4.36 -1.485905297e-01 -1.485905297e-01 4.38 -1.375915260e-01 -1.375915260e-01 4.40 -1.269048591e-01 -1.269048591e-01 4.42 -1.165386905e-01 -1.165386905e-01 4.44 -1.065138066e-01 -1.065138066e-01 4.46 -9.686109805e-02 -9.686109805e-02 4.48 -8.761833612e-02 -8.761833612e-02 4.50 -7.882646014e-02 -7.882646014e-02 4.52 -7.052568938e-02 -7.052568938e-02 4.54 -6.275183073e-02 -6.275183073e-02 4.56 -5.553314676e-02 -5.553314676e-02 4.58 -4.888807700e-02 -4.888807700e-02 4.60 -4.282397287e-02 -4.282397287e-02 4.62 -3.733687574e-02 -3.733687574e-02 4.64 -3.241222602e-02 -3.241222602e-02 4.66 -2.802628328e-02 -2.802628328e-02 4.68 -2.414798681e-02 -2.414798681e-02 4.70 -2.074100942e-02 -2.074100942e-02 4.72 -1.776576465e-02 -1.776576465e-02 4.74 -1.518061877e-02 -1.518061877e-02 4.76 -1.294500288e-02 -1.294500288e-02 4.78 -1.101988724e-02 -1.101988724e-02 4.80 -9.368179190e-03 -9.368179190e-03 4.82 -7.955411731e-03 -7.955411731e-03 4.84 -6.750130422e-03 -6.750130422e-03 4.86 -5.724048603e-03 -5.724048603e-03 4.88 -4.852032447e-03 -4.852032447e-03 4.90 -4.111969765e-03 -4.111969765e-03 4.92 -3.484565405e-03 -3.484565405e-03 4.94 -2.953096056e-03 -2.953096056e-03 4.96 -2.503148423e-03 -2.503148423e-03 4.98 -2.122357444e-03 -2.122357444e-03 5.00 -1.800155478e-03 -1.800155478e-03 5.02 -1.527539067e-03 -1.527539067e-03 5.04 -1.296856750e-03 -1.296856750e-03 5.06 -1.101619222e-03 -1.101619222e-03 5.08 -9.363316603e-04 -9.363316603e-04 5.10 -7.963471288e-04 -7.963471288e-04 5.12 -6.777394590e-04 -6.777394590e-04 5.14 -5.771937263e-04 -5.771937263e-04 5.16 -4.919123878e-04 -4.919123878e-04 5.18 -4.195351819e-04 -4.195351819e-04 5.20 -3.580710049e-04 -3.580710049e-04 5.22 -3.058401349e-04 -3.058401349e-04 5.24 -2.614253373e-04 -2.614253373e-04 5.26 -2.236305615e-04 -2.236305615e-04 5.28 -1.914460936e-04 -1.914460936e-04 5.30 -1.640191895e-04 -1.640191895e-04 5.32 -1.406293431e-04 -1.406293431e-04 5.34 -1.206674703e-04 -1.206674703e-04 5.36 -1.036183941e-04 -1.036183941e-04 5.38 -8.904610950e-05 -8.904610950e-05 5.40 -7.658138773e-05 -7.658138773e-05 5.42 -6.591134759e-05 -6.591134759e-05 5.44 -5.677067961e-05 -5.677067961e-05 5.46 -4.893425930e-05 -4.893425930e-05 5.48 -4.221092724e-05 -4.221092724e-05 5.50 -3.643824966e-05 -3.643824966e-05 5.52 -3.147810272e-05 -3.147810272e-05 5.54 -2.721294920e-05 -2.721294920e-05 5.56 -2.354269722e-05 -2.354269722e-05 5.58 -2.038204843e-05 -2.038204843e-05 5.60 -1.765825815e-05 -1.765825815e-05 5.62 -1.530924210e-05 -1.530924210e-05 5.64 -1.328197524e-05 -1.328197524e-05 5.66 -1.153113654e-05 -1.153113654e-05 5.68 -1.001796127e-05 -1.001796127e-05 5.70 -8.709268334e-06 -8.709268334e-06 5.72 -7.576635306e-06 -7.576635306e-06 5.74 -6.595698328e-06 -6.595698328e-06 5.76 -5.745557500e-06 -5.745557500e-06 5.78 -5.008271535e-06 -5.008271535e-06 5.80 -4.368427947e-06 -4.368427947e-06 5.82 -3.812777245e-06 -3.812777245e-06 5.84 -3.329921361e-06 -3.329921361e-06 5.86 -2.910048084e-06 -2.910048084e-06 5.88 -2.544704556e-06 -2.544704556e-06 5.90 -2.226603933e-06 -2.226603933e-06 5.92 -1.949460249e-06 -1.949460249e-06 5.94 -1.707847262e-06 -1.707847262e-06 5.96 -1.497077715e-06 -1.497077715e-06 5.98 -1.313099995e-06 -1.313099995e-06 6.00 -1.152409611e-06 -1.152409611e-06