# 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 = Fe2NiTa # 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 2.044802668e+02 2.044802668e+02 1.30 1.870707236e+02 1.870707236e+02 1.32 1.710816842e+02 1.710816842e+02 1.34 1.563850324e+02 1.563850324e+02 1.36 1.428701589e+02 1.428701589e+02 1.38 1.304416527e+02 1.304416527e+02 1.40 1.190156447e+02 1.190156447e+02 1.42 1.085164035e+02 1.085164035e+02 1.44 9.887389846e+01 9.887389846e+01 1.46 9.002220969e+01 9.002220969e+01 1.48 8.189855632e+01 8.189855632e+01 1.50 7.444294189e+01 7.444294189e+01 1.52 6.759848115e+01 6.759848115e+01 1.54 6.131217812e+01 6.131217812e+01 1.56 5.553561235e+01 5.553561235e+01 1.58 5.022513582e+01 5.022513582e+01 1.60 4.534161944e+01 4.534161944e+01 1.62 4.085000399e+01 4.085000399e+01 1.64 3.671881735e+01 3.671881735e+01 1.66 3.291969057e+01 3.291969057e+01 1.68 2.942689155e+01 2.942689155e+01 1.70 2.621851355e+01 2.621851355e+01 1.72 2.327823160e+01 2.327823160e+01 1.74 2.058578209e+01 2.058578209e+01 1.76 1.812167134e+01 1.812167134e+01 1.78 1.586786057e+01 1.586786057e+01 1.80 1.380784255e+01 1.380784255e+01 1.82 1.192652913e+01 1.192652913e+01 1.84 1.021017669e+01 1.021017669e+01 1.86 8.646202939e+00 8.646202939e+00 1.88 7.222935327e+00 7.222935327e+00 1.90 5.929360976e+00 5.929360976e+00 1.92 4.754933576e+00 4.754933576e+00 1.94 3.689462810e+00 3.689462810e+00 1.96 2.723091994e+00 2.723091994e+00 1.98 1.846360364e+00 1.846360364e+00 2.00 1.050337416e+00 1.050337416e+00 2.02 3.268019085e-01 3.268019085e-01 2.04 -3.315794313e-01 -3.315794313e-01 2.06 -9.311277414e-01 -9.311277414e-01 2.08 -1.477125095e+00 -1.477125095e+00 2.10 -1.973895396e+00 -1.973895396e+00 2.12 -2.424967590e+00 -2.424967590e+00 2.14 -2.833275481e+00 -2.833275481e+00 2.16 -3.201350751e+00 -3.201350751e+00 2.18 -3.531482659e+00 -3.531482659e+00 2.20 -3.825836384e+00 -3.825836384e+00 2.22 -4.086534096e+00 -4.086534096e+00 2.24 -4.315707181e+00 -4.315707181e+00 2.26 -4.515527568e+00 -4.515527568e+00 2.28 -4.688223408e+00 -4.688223408e+00 2.30 -4.836011115e+00 -4.836011115e+00 2.32 -4.961138771e+00 -4.961138771e+00 2.34 -5.066227151e+00 -5.066227151e+00 2.36 -5.153813213e+00 -5.153813213e+00 2.38 -5.226240255e+00 -5.226240255e+00 2.40 -5.285573212e+00 -5.285573212e+00 2.42 -5.333207641e+00 -5.333207641e+00 2.44 -5.369914285e+00 -5.369914285e+00 2.46 -5.396434232e+00 -5.396434232e+00 2.48 -5.413491783e+00 -5.413491783e+00 2.50 -5.421778311e+00 -5.421778311e+00 2.52 -5.421947541e+00 -5.421947541e+00 2.54 -5.414617169e+00 -5.414617169e+00 2.56 -5.400371946e+00 -5.400371946e+00 2.58 -5.379765129e+00 -5.379765129e+00 2.60 -5.353323257e+00 -5.353323257e+00 2.62 -5.321546074e+00 -5.321546074e+00 2.64 -5.284905757e+00 -5.284905757e+00 2.66 -5.243846579e+00 -5.243846579e+00 2.68 -5.198785315e+00 -5.198785315e+00 2.70 -5.150056469e+00 -5.150056469e+00 2.72 -5.097837559e+00 -5.097837559e+00 2.74 -5.042304356e+00 -5.042304356e+00 2.76 -4.983638219e+00 -4.983638219e+00 2.78 -4.922019707e+00 -4.922019707e+00 2.80 -4.857631489e+00 -4.857631489e+00 2.82 -4.790650868e+00 -4.790650868e+00 2.84 -4.721244371e+00 -4.721244371e+00 2.86 -4.649564765e+00 -4.649564765e+00 2.88 -4.575749557e+00 -4.575749557e+00 2.90 -4.499817795e+00 -4.499817795e+00 2.92 -4.421591116e+00 -4.421591116e+00 2.94 -4.340930490e+00 -4.340930490e+00 2.96 -4.257756954e+00 -4.257756954e+00 2.98 -4.172037952e+00 -4.172037952e+00 3.00 -4.083774510e+00 -4.083774510e+00 3.02 -3.992990660e+00 -3.992990660e+00 3.04 -3.899726183e+00 -3.899726183e+00 3.06 -3.804033318e+00 -3.804033318e+00 3.08 -3.705977580e+00 -3.705977580e+00 3.10 -3.605642439e+00 -3.605642439e+00 3.12 -3.503137229e+00 -3.503137229e+00 3.14 -3.398607377e+00 -3.398607377e+00 3.16 -3.292245730e+00 -3.292245730e+00 3.18 -3.184303546e+00 -3.184303546e+00 3.20 -3.075099471e+00 -3.075099471e+00 3.22 -2.965024693e+00 -2.965024693e+00 3.24 -2.854542541e+00 -2.854542541e+00 3.26 -2.744181136e+00 -2.744181136e+00 3.28 -2.634518435e+00 -2.634518435e+00 3.30 -2.526160008e+00 -2.526160008e+00 3.32 -2.419711141e+00 -2.419711141e+00 3.34 -2.315745925e+00 -2.315745925e+00 3.36 -2.214776737e+00 -2.214776737e+00 3.38 -2.117227645e+00 -2.117227645e+00 3.40 -2.023414713e+00 -2.023414713e+00 3.42 -1.933535095e+00 -1.933535095e+00 3.44 -1.847665458e+00 -1.847665458e+00 3.46 -1.765768970e+00 -1.765768970e+00 3.48 -1.687709093e+00 -1.687709093e+00 3.50 -1.613267937e+00 -1.613267937e+00 3.52 -1.542166860e+00 -1.542166860e+00 3.54 -1.474087340e+00 -1.474087340e+00 3.56 -1.408690633e+00 -1.408690633e+00 3.58 -1.345635332e+00 -1.345635332e+00 3.60 -1.284592414e+00 -1.284592414e+00 3.62 -1.225257742e+00 -1.225257742e+00 3.64 -1.167362186e+00 -1.167362186e+00 3.66 -1.110679618e+00 -1.110679618e+00 3.68 -1.055032970e+00 -1.055032970e+00 3.70 -1.000298487e+00 -1.000298487e+00 3.72 -9.464081279e-01 -9.464081279e-01 3.74 -8.933499844e-01 -8.933499844e-01 3.76 -8.411665249e-01 -8.411665249e-01 3.78 -7.899504443e-01 -7.899504443e-01 3.80 -7.398380191e-01 -7.398380191e-01 3.82 -6.910000264e-01 -6.910000264e-01 3.84 -6.436305402e-01 -6.436305402e-01 3.86 -5.979341165e-01 -5.979341165e-01 3.88 -5.541123004e-01 -5.541123004e-01 3.90 -5.123511270e-01 -5.123511270e-01 3.92 -4.728089638e-01 -4.728089638e-01 3.94 -4.356073342e-01 -4.356073342e-01 3.96 -4.008249067e-01 -4.008249067e-01 3.98 -3.684949220e-01 -3.684949220e-01 4.00 -3.386059421e-01 -3.386059421e-01 4.02 -3.111054334e-01 -3.111054334e-01 4.04 -2.859054191e-01 -2.859054191e-01 4.06 -2.628893922e-01 -2.628893922e-01 4.08 -2.419194054e-01 -2.419194054e-01 4.10 -2.228438507e-01 -2.228438507e-01 4.12 -2.055037254e-01 -2.055037254e-01 4.14 -1.897378433e-01 -1.897378433e-01 4.16 -1.753873643e-01 -1.753873643e-01 4.18 -1.622992630e-01 -1.622992630e-01 4.20 -1.503288564e-01 -1.503288564e-01 4.22 -1.393415492e-01 -1.393415492e-01 4.24 -1.292139674e-01 -1.292139674e-01 4.26 -1.198346414e-01 -1.198346414e-01 4.28 -1.111043744e-01 -1.111043744e-01 4.30 -1.029363994e-01 -1.029363994e-01 4.32 -9.525639040e-02 -9.525639040e-02 4.34 -8.800235631e-02 -8.800235631e-02 4.36 -8.112440606e-02 -8.112440606e-02 4.38 -7.458434670e-02 -7.458434670e-02 4.40 -6.835505492e-02 -6.835505492e-02 4.42 -6.241956015e-02 -6.241956015e-02 4.44 -5.676979392e-02 -5.676979392e-02 4.46 -5.140499718e-02 -5.140499718e-02 4.48 -4.632982905e-02 -4.632982905e-02 4.50 -4.155227830e-02 -4.155227830e-02 4.52 -3.708152810e-02 -3.708152810e-02 4.54 -3.292595178e-02 -3.292595178e-02 4.56 -2.909141510e-02 -2.909141510e-02 4.58 -2.558001310e-02 -2.558001310e-02 4.60 -2.238933409e-02 -2.238933409e-02 4.62 -1.951224621e-02 -1.951224621e-02 4.64 -1.693714618e-02 -1.693714618e-02 4.66 -1.464797514e-02 -1.464797514e-02 4.68 -1.262617516e-02 -1.262617516e-02 4.70 -1.085172569e-02 -1.085172569e-02 4.72 -9.303151892e-03 -9.303151892e-03 4.74 -7.958470130e-03 -7.958470130e-03 4.76 -6.795964888e-03 -6.795964888e-03 4.78 -5.794782323e-03 -5.794782323e-03 4.80 -4.935347424e-03 -4.935347424e-03 4.82 -4.199625926e-03 -4.199625926e-03 4.84 -3.571257212e-03 -3.571257212e-03 4.86 -3.035588524e-03 -3.035588524e-03 4.88 -2.579636271e-03 -2.579636271e-03 4.90 -2.191998147e-03 -2.191998147e-03 4.92 -1.862734860e-03 -1.862734860e-03 4.94 -1.583236007e-03 -1.583236007e-03 4.96 -1.346080744e-03 -1.346080744e-03 4.98 -1.144900636e-03 -1.144900636e-03 5.00 -9.742495366e-04 -9.742495366e-04 5.02 -8.294833133e-04 -8.294833133e-04 5.04 -7.066508837e-04 -7.066508837e-04 5.06 -6.023969757e-04 -6.023969757e-04 5.08 -5.138763870e-04 -5.138763870e-04 5.10 -4.386790973e-04 -4.386790973e-04 5.12 -3.747653563e-04 -3.747653563e-04 5.14 -3.204097617e-04 -3.204097617e-04 5.16 -2.741533209e-04 -2.741533209e-04 5.18 -2.347625200e-04 -2.347625200e-04 5.20 -2.011944877e-04 -2.011944877e-04 5.22 -1.725674233e-04 -1.725674233e-04 5.24 -1.481355445e-04 -1.481355445e-04 5.26 -1.272678979e-04 -1.272678979e-04 5.28 -1.094304588e-04 -1.094304588e-04 5.30 -9.417102327e-05 -9.417102327e-05 5.32 -8.110646549e-05 -8.110646549e-05 5.34 -6.991199412e-05 -6.991199412e-05 5.36 -6.031209696e-05 -6.031209696e-05 5.38 -5.207290855e-05 -5.207290855e-05 5.40 -4.499577707e-05 -4.499577707e-05 5.42 -3.891184101e-05 -3.891184101e-05 5.44 -3.367745596e-05 -3.367745596e-05 5.46 -2.917033674e-05 -2.917033674e-05 5.48 -2.528630169e-05 -2.528630169e-05 5.50 -2.193652376e-05 -2.193652376e-05 5.52 -1.904520817e-05 -1.904520817e-05 5.54 -1.654762942e-05 -1.654762942e-05 5.56 -1.438847094e-05 -1.438847094e-05 5.58 -1.252041978e-05 -1.252041978e-05 5.60 -1.090297646e-05 -1.090297646e-05 5.62 -9.501446188e-06 -9.501446188e-06 5.64 -8.286083356e-06 -8.286083356e-06 5.66 -7.231365366e-06 -7.231365366e-06 5.68 -6.315375833e-06 -6.315375833e-06 5.70 -5.519280289e-06 -5.519280289e-06 5.72 -4.826880172e-06 -4.826880172e-06 5.74 -4.224233127e-06 -4.224233127e-06 5.76 -3.699329500e-06 -3.699329500e-06 5.78 -3.241816510e-06 -3.241816510e-06 5.80 -2.842762888e-06 -2.842762888e-06 5.82 -2.494457881e-06 -2.494457881e-06 5.84 -2.190239487e-06 -2.190239487e-06 5.86 -1.924347544e-06 -1.924347544e-06 5.88 -1.691797987e-06 -1.691797987e-06 5.90 -1.488275139e-06 -1.488275139e-06 5.92 -1.310039377e-06 -1.310039377e-06 5.94 -1.153847927e-06 -1.153847927e-06 5.96 -1.016886856e-06 -1.016886856e-06 5.98 -8.967126503e-07 -8.967126503e-07 6.00 -7.912019755e-07 -7.912019755e-07