# 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 = Au2PdTi # 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 3.556257041e+02 3.556257041e+02 1.30 3.302664653e+02 3.302664653e+02 1.32 3.067502032e+02 3.067502032e+02 1.34 2.849309277e+02 2.849309277e+02 1.36 2.646741803e+02 2.646741803e+02 1.38 2.458563240e+02 2.458563240e+02 1.40 2.283652601e+02 2.283652601e+02 1.42 2.121002231e+02 2.121002231e+02 1.44 1.969700158e+02 1.969700158e+02 1.46 1.828908442e+02 1.828908442e+02 1.48 1.697849154e+02 1.697849154e+02 1.50 1.575799342e+02 1.575799342e+02 1.52 1.462090205e+02 1.462090205e+02 1.54 1.356105668e+02 1.356105668e+02 1.56 1.257277941e+02 1.257277941e+02 1.58 1.165081677e+02 1.165081677e+02 1.60 1.079029988e+02 1.079029988e+02 1.62 9.986729018e+01 9.986729018e+01 1.64 9.235967413e+01 9.235967413e+01 1.66 8.534234436e+01 8.534234436e+01 1.68 7.878093472e+01 7.878093472e+01 1.70 7.264422948e+01 7.264422948e+01 1.72 6.690364501e+01 6.690364501e+01 1.74 6.153262712e+01 6.153262712e+01 1.76 5.650621180e+01 5.650621180e+01 1.78 5.180651344e+01 5.180651344e+01 1.80 4.743325527e+01 4.743325527e+01 1.82 4.337704776e+01 4.337704776e+01 1.84 3.961593796e+01 3.961593796e+01 1.86 3.612817248e+01 3.612817248e+01 1.88 3.289401712e+01 3.289401712e+01 1.90 2.989569205e+01 2.989569205e+01 1.92 2.711716255e+01 2.711716255e+01 1.94 2.454379469e+01 2.454379469e+01 1.96 2.216196274e+01 2.216196274e+01 1.98 1.995872865e+01 1.995872865e+01 2.00 1.792167983e+01 1.792167983e+01 2.02 1.603892464e+01 1.603892464e+01 2.04 1.429917524e+01 1.429917524e+01 2.06 1.269183978e+01 1.269183978e+01 2.08 1.120708156e+01 1.120708156e+01 2.10 9.835836508e+00 9.835836508e+00 2.12 8.569792953e+00 8.569792953e+00 2.14 7.401342459e+00 7.401342459e+00 2.16 6.323513252e+00 6.323513252e+00 2.18 5.329899239e+00 5.329899239e+00 2.20 4.414594624e+00 4.414594624e+00 2.22 3.572138540e+00 3.572138540e+00 2.24 2.797470363e+00 2.797470363e+00 2.26 2.085893560e+00 2.085893560e+00 2.28 1.433045236e+00 1.433045236e+00 2.30 8.348686526e-01 8.348686526e-01 2.32 2.875865797e-01 2.875865797e-01 2.34 -2.123248691e-01 -2.123248691e-01 2.36 -6.681593530e-01 -6.681593530e-01 2.38 -1.082997937e+00 -1.082997937e+00 2.40 -1.459720901e+00 -1.459720901e+00 2.42 -1.801016830e+00 -1.801016830e+00 2.44 -2.109393170e+00 -2.109393170e+00 2.46 -2.387191606e+00 -2.387191606e+00 2.48 -2.636608106e+00 -2.636608106e+00 2.50 -2.859714604e+00 -2.859714604e+00 2.52 -3.058477697e+00 -3.058477697e+00 2.54 -3.234770694e+00 -3.234770694e+00 2.56 -3.390377998e+00 -3.390377998e+00 2.58 -3.526993027e+00 -3.526993027e+00 2.60 -3.646211628e+00 -3.646211628e+00 2.62 -3.749543508e+00 -3.749543508e+00 2.64 -3.838398307e+00 -3.838398307e+00 2.66 -3.913959120e+00 -3.913959120e+00 2.68 -3.977290129e+00 -3.977290129e+00 2.70 -4.029345681e+00 -4.029345681e+00 2.72 -4.070978182e+00 -4.070978182e+00 2.74 -4.102951429e+00 -4.102951429e+00 2.76 -4.126063428e+00 -4.126063428e+00 2.78 -4.141293789e+00 -4.141293789e+00 2.80 -4.149001722e+00 -4.149001722e+00 2.82 -4.149335832e+00 -4.149335832e+00 2.84 -4.142512056e+00 -4.142512056e+00 2.86 -4.128805784e+00 -4.128805784e+00 2.88 -4.108543877e+00 -4.108543877e+00 2.90 -4.082097276e+00 -4.082097276e+00 2.92 -4.049880428e+00 -4.049880428e+00 2.94 -4.012373894e+00 -4.012373894e+00 2.96 -3.970069370e+00 -3.970069370e+00 2.98 -3.923451655e+00 -3.923451655e+00 3.00 -3.873001710e+00 -3.873001710e+00 3.02 -3.819193219e+00 -3.819193219e+00 3.04 -3.762488732e+00 -3.762488732e+00 3.06 -3.703334129e+00 -3.703334129e+00 3.08 -3.642150297e+00 -3.642150297e+00 3.10 -3.579324026e+00 -3.579324026e+00 3.12 -3.515199711e+00 -3.515199711e+00 3.14 -3.450074545e+00 -3.450074545e+00 3.16 -3.384197735e+00 -3.384197735e+00 3.18 -3.317774202e+00 -3.317774202e+00 3.20 -3.250970901e+00 -3.250970901e+00 3.22 -3.183924426e+00 -3.183924426e+00 3.24 -3.116748500e+00 -3.116748500e+00 3.26 -3.049540491e+00 -3.049540491e+00 3.28 -2.982386599e+00 -2.982386599e+00 3.30 -2.915365695e+00 -2.915365695e+00 3.32 -2.848552002e+00 -2.848552002e+00 3.34 -2.782016862e+00 -2.782016862e+00 3.36 -2.715829855e+00 -2.715829855e+00 3.38 -2.650059489e+00 -2.650059489e+00 3.40 -2.584773651e+00 -2.584773651e+00 3.42 -2.520040043e+00 -2.520040043e+00 3.44 -2.455926495e+00 -2.455926495e+00 3.46 -2.392501445e+00 -2.392501445e+00 3.48 -2.329834266e+00 -2.329834266e+00 3.50 -2.267995338e+00 -2.267995338e+00 3.52 -2.207055578e+00 -2.207055578e+00 3.54 -2.147085195e+00 -2.147085195e+00 3.56 -2.088151573e+00 -2.088151573e+00 3.58 -2.030316437e+00 -2.030316437e+00 3.60 -1.973632737e+00 -1.973632737e+00 3.62 -1.918141830e+00 -1.918141830e+00 3.64 -1.863871540e+00 -1.863871540e+00 3.66 -1.810835462e+00 -1.810835462e+00 3.68 -1.759033539e+00 -1.759033539e+00 3.70 -1.708453675e+00 -1.708453675e+00 3.72 -1.659073989e+00 -1.659073989e+00 3.74 -1.610865287e+00 -1.610865287e+00 3.76 -1.563793425e+00 -1.563793425e+00 3.78 -1.517821374e+00 -1.517821374e+00 3.80 -1.472910903e+00 -1.472910903e+00 3.82 -1.429023887e+00 -1.429023887e+00 3.84 -1.386123284e+00 -1.386123284e+00 3.86 -1.344173842e+00 -1.344173842e+00 3.88 -1.303142597e+00 -1.303142597e+00 3.90 -1.262999223e+00 -1.262999223e+00 3.92 -1.223716252e+00 -1.223716252e+00 3.94 -1.185269350e+00 -1.185269350e+00 3.96 -1.147637329e+00 -1.147637329e+00 3.98 -1.110802390e+00 -1.110802390e+00 4.00 -1.074750237e+00 -1.074750237e+00 4.02 -1.039470190e+00 -1.039470190e+00 4.04 -1.004955250e+00 -1.004955250e+00 4.06 -9.712020595e-01 -9.712020595e-01 4.08 -9.382107116e-01 -9.382107116e-01 4.10 -9.059843172e-01 -9.059843172e-01 4.12 -8.745286991e-01 -8.745286991e-01 4.14 -8.438512435e-01 -8.438512435e-01 4.16 -8.139603530e-01 -8.139603530e-01 4.18 -7.848645162e-01 -7.848645162e-01 4.20 -7.565715293e-01 -7.565715293e-01 4.22 -7.290878616e-01 -7.290878616e-01 4.24 -7.024181881e-01 -7.024181881e-01 4.26 -6.765650665e-01 -6.765650665e-01 4.28 -6.515286980e-01 -6.515286980e-01 4.30 -6.273066956e-01 -6.273066956e-01 4.32 -6.038938037e-01 -6.038938037e-01 4.34 -5.812815478e-01 -5.812815478e-01 4.36 -5.594578423e-01 -5.594578423e-01 4.38 -5.384066228e-01 -5.384066228e-01 4.40 -5.181075914e-01 -5.181075914e-01 4.42 -4.985361531e-01 -4.985361531e-01 4.44 -4.796635990e-01 -4.796635990e-01 4.46 -4.614575478e-01 -4.614575478e-01 4.48 -4.438826218e-01 -4.438826218e-01 4.50 -4.269013006e-01 -4.269013006e-01 4.52 -4.104748841e-01 -4.104748841e-01 4.54 -3.945644927e-01 -3.945644927e-01 4.56 -3.791320441e-01 -3.791320441e-01 4.58 -3.641411595e-01 -3.641411595e-01 4.60 -3.495579667e-01 -3.495579667e-01 4.62 -3.353517801e-01 -3.353517801e-01 4.64 -3.214956435e-01 -3.214956435e-01 4.66 -3.079667251e-01 -3.079667251e-01 4.68 -2.947465589e-01 -2.947465589e-01 4.70 -2.818211264e-01 -2.818211264e-01 4.72 -2.691807799e-01 -2.691807799e-01 4.74 -2.568200167e-01 -2.568200167e-01 4.76 -2.447371264e-01 -2.447371264e-01 4.78 -2.329337433e-01 -2.329337433e-01 4.80 -2.214143066e-01 -2.214143066e-01 4.82 -2.101857341e-01 -2.101857341e-01 4.84 -1.992566810e-01 -1.992566810e-01 4.86 -1.886373329e-01 -1.886373329e-01 4.88 -1.783390253e-01 -1.783390253e-01 4.90 -1.683739698e-01 -1.683739698e-01 4.92 -1.587549991e-01 -1.587549991e-01 4.94 -1.494952841e-01 -1.494952841e-01 4.96 -1.406079799e-01 -1.406079799e-01 4.98 -1.321057684e-01 -1.321057684e-01 5.00 -1.240002931e-01 -1.240002931e-01 5.02 -1.163015091e-01 -1.163015091e-01 5.04 -1.090169979e-01 -1.090169979e-01 5.06 -1.021513158e-01 -1.021513158e-01 5.08 -9.570545122e-02 -9.570545122e-02 5.10 -8.967645662e-02 -8.967645662e-02 5.12 -8.405729154e-02 -8.405729154e-02 5.14 -7.883691057e-02 -7.883691057e-02 5.16 -7.400057248e-02 -7.400057248e-02 5.18 -6.953033664e-02 -6.953033664e-02 5.20 -6.540566558e-02 -6.540566558e-02 5.22 -6.160392488e-02 -6.160392488e-02 5.24 -5.810159407e-02 -5.810159407e-02 5.26 -5.487461701e-02 -5.487461701e-02 5.28 -5.189888391e-02 -5.189888391e-02 5.30 -4.915093722e-02 -4.915093722e-02 5.32 -4.660817693e-02 -4.660817693e-02 5.34 -4.424915043e-02 -4.424915043e-02 5.36 -4.205375338e-02 -4.205375338e-02 5.38 -4.000334356e-02 -4.000334356e-02 5.40 -3.808078591e-02 -3.808078591e-02 5.42 -3.627044654e-02 -3.627044654e-02 5.44 -3.455815202e-02 -3.455815202e-02 5.46 -3.293112770e-02 -3.293112770e-02 5.48 -3.137792665e-02 -3.137792665e-02 5.50 -2.988835820e-02 -2.988835820e-02 5.52 -2.845342253e-02 -2.845342253e-02 5.54 -2.706525624e-02 -2.706525624e-02 5.56 -2.571709052e-02 -2.571709052e-02 5.58 -2.440322307e-02 -2.440322307e-02 5.60 -2.311900229e-02 -2.311900229e-02 5.62 -2.186082013e-02 -2.186082013e-02 5.64 -2.062610874e-02 -2.062610874e-02 5.66 -1.941333443e-02 -1.941333443e-02 5.68 -1.822198119e-02 -1.822198119e-02 5.70 -1.705251583e-02 -1.705251583e-02 5.72 -1.590632703e-02 -1.590632703e-02 5.74 -1.478563228e-02 -1.478563228e-02 5.76 -1.369334769e-02 -1.369334769e-02 5.78 -1.263278555e-02 -1.263278555e-02 5.80 -1.160770831e-02 -1.160770831e-02 5.82 -1.062211395e-02 -1.062211395e-02 5.84 -9.679898075e-03 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