# 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 = CuPd2Pt # 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 2.716144478e+02 2.716144478e+02 1.30 2.520187184e+02 2.520187184e+02 1.32 2.337973384e+02 2.337973384e+02 1.34 2.168520247e+02 2.168520247e+02 1.36 2.010891944e+02 2.010891944e+02 1.38 1.864181699e+02 1.864181699e+02 1.40 1.727525359e+02 1.727525359e+02 1.42 1.600126391e+02 1.600126391e+02 1.44 1.481268490e+02 1.481268490e+02 1.46 1.370311715e+02 1.370311715e+02 1.48 1.266681359e+02 1.266681359e+02 1.50 1.169854366e+02 1.169854366e+02 1.52 1.079342907e+02 1.079342907e+02 1.54 9.946805035e+01 9.946805035e+01 1.56 9.154198166e+01 9.154198166e+01 1.58 8.411422017e+01 8.411422017e+01 1.60 7.714691216e+01 7.714691216e+01 1.62 7.060659399e+01 7.060659399e+01 1.64 6.446369578e+01 6.446369578e+01 1.66 5.869183594e+01 5.869183594e+01 1.68 5.329550827e+01 5.329550827e+01 1.70 4.832584650e+01 4.832584650e+01 1.72 4.376007376e+01 4.376007376e+01 1.74 3.957002058e+01 3.957002058e+01 1.76 3.572835013e+01 3.572835013e+01 1.78 3.220776107e+01 3.220776107e+01 1.80 2.898129960e+01 2.898129960e+01 1.82 2.602325322e+01 2.602325322e+01 1.84 2.330991348e+01 2.330991348e+01 1.86 2.081986763e+01 2.081986763e+01 1.88 1.853389872e+01 1.853389872e+01 1.90 1.643474349e+01 1.643474349e+01 1.92 1.450688653e+01 1.450688653e+01 1.94 1.273641374e+01 1.273641374e+01 1.96 1.111086567e+01 1.111086567e+01 1.98 9.619055330e+00 9.619055330e+00 2.00 8.250867027e+00 8.250867027e+00 2.02 6.997068471e+00 6.997068471e+00 2.04 5.849155219e+00 5.849155219e+00 2.06 4.799232746e+00 4.799232746e+00 2.08 3.839933865e+00 3.839933865e+00 2.10 2.964366063e+00 2.964366063e+00 2.12 2.166082958e+00 2.166082958e+00 2.14 1.439074953e+00 1.439074953e+00 2.16 7.777725948e-01 7.777725948e-01 2.18 1.770527364e-01 1.770527364e-01 2.20 -3.677633430e-01 -3.677633430e-01 2.22 -8.609261533e-01 -8.609261533e-01 2.24 -1.306287936e+00 -1.306287936e+00 2.26 -1.707341789e+00 -1.707341789e+00 2.28 -2.067265992e+00 -2.067265992e+00 2.30 -2.388971359e+00 -2.388971359e+00 2.32 -2.675149556e+00 -2.675149556e+00 2.34 -2.928318567e+00 -2.928318567e+00 2.36 -3.150861319e+00 -3.150861319e+00 2.38 -3.345055763e+00 -3.345055763e+00 2.40 -3.514038874e+00 -3.514038874e+00 2.42 -3.660517364e+00 -3.660517364e+00 2.44 -3.786141970e+00 -3.786141970e+00 2.46 -3.892579796e+00 -3.892579796e+00 2.48 -3.981507746e+00 -3.981507746e+00 2.50 -4.054600900e+00 -4.054600900e+00 2.52 -4.113509810e+00 -4.113509810e+00 2.54 -4.159823183e+00 -4.159823183e+00 2.56 -4.195019247e+00 -4.195019247e+00 2.58 -4.220416691e+00 -4.220416691e+00 2.60 -4.237139338e+00 -4.237139338e+00 2.62 -4.246105049e+00 -4.246105049e+00 2.64 -4.248167454e+00 -4.248167454e+00 2.66 -4.244456084e+00 -4.244456084e+00 2.68 -4.235206380e+00 -4.235206380e+00 2.70 -4.220713657e+00 -4.220713657e+00 2.72 -4.200985628e+00 -4.200985628e+00 2.74 -4.175971063e+00 -4.175971063e+00 2.76 -4.145671770e+00 -4.145671770e+00 2.78 -4.110130654e+00 -4.110130654e+00 2.80 -4.069424264e+00 -4.069424264e+00 2.82 -4.023676147e+00 -4.023676147e+00 2.84 -3.973106637e+00 -3.973106637e+00 2.86 -3.917994634e+00 -3.917994634e+00 2.88 -3.858687723e+00 -3.858687723e+00 2.90 -3.795603406e+00 -3.795603406e+00 2.92 -3.729228189e+00 -3.729228189e+00 2.94 -3.660113592e+00 -3.660113592e+00 2.96 -3.588858968e+00 -3.588858968e+00 2.98 -3.516082526e+00 -3.516082526e+00 3.00 -3.442385255e+00 -3.442385255e+00 3.02 -3.368314640e+00 -3.368314640e+00 3.04 -3.294335223e+00 -3.294335223e+00 3.06 -3.220811199e+00 -3.220811199e+00 3.08 -3.148002769e+00 -3.148002769e+00 3.10 -3.076074591e+00 -3.076074591e+00 3.12 -3.005112228e+00 -3.005112228e+00 3.14 -2.935141965e+00 -2.935141965e+00 3.16 -2.866167410e+00 -2.866167410e+00 3.18 -2.798227602e+00 -2.798227602e+00 3.20 -2.731341523e+00 -2.731341523e+00 3.22 -2.665503887e+00 -2.665503887e+00 3.24 -2.600696846e+00 -2.600696846e+00 3.26 -2.536897874e+00 -2.536897874e+00 3.28 -2.474084971e+00 -2.474084971e+00 3.30 -2.412240043e+00 -2.412240043e+00 3.32 -2.351350997e+00 -2.351350997e+00 3.34 -2.291412852e+00 -2.291412852e+00 3.36 -2.232428037e+00 -2.232428037e+00 3.38 -2.174405967e+00 -2.174405967e+00 3.40 -2.117362019e+00 -2.117362019e+00 3.42 -2.061316049e+00 -2.061316049e+00 3.44 -2.006290596e+00 -2.006290596e+00 3.46 -1.952308988e+00 -1.952308988e+00 3.48 -1.899393485e+00 -1.899393485e+00 3.50 -1.847563606e+00 -1.847563606e+00 3.52 -1.796834732e+00 -1.796834732e+00 3.54 -1.747217023e+00 -1.747217023e+00 3.56 -1.698714673e+00 -1.698714673e+00 3.58 -1.651325483e+00 -1.651325483e+00 3.60 -1.605040739e+00 -1.605040739e+00 3.62 -1.559845365e+00 -1.559845365e+00 3.64 -1.515718327e+00 -1.515718327e+00 3.66 -1.472633263e+00 -1.472633263e+00 3.68 -1.430559312e+00 -1.430559312e+00 3.70 -1.389462098e+00 -1.389462098e+00 3.72 -1.349304819e+00 -1.349304819e+00 3.74 -1.310049351e+00 -1.310049351e+00 3.76 -1.271657283e+00 -1.271657283e+00 3.78 -1.234090767e+00 -1.234090767e+00 3.80 -1.197313105e+00 -1.197313105e+00 3.82 -1.161289009e+00 -1.161289009e+00 3.84 -1.125984559e+00 -1.125984559e+00 3.86 -1.091366921e+00 -1.091366921e+00 3.88 -1.057403971e+00 -1.057403971e+00 3.90 -1.024064011e+00 -1.024064011e+00 3.92 -9.913157219e-01 -9.913157219e-01 3.94 -9.591285168e-01 -9.591285168e-01 3.96 -9.274733121e-01 -9.274733121e-01 3.98 -8.963237351e-01 -8.963237351e-01 4.00 -8.656576463e-01 -8.656576463e-01 4.02 -8.354588283e-01 -8.354588283e-01 4.04 -8.057186428e-01 -8.057186428e-01 4.06 -7.764374350e-01 -7.764374350e-01 4.08 -7.476254661e-01 -7.476254661e-01 4.10 -7.193031719e-01 -7.193031719e-01 4.12 -6.915006268e-01 -6.915006268e-01 4.14 -6.642560983e-01 -6.642560983e-01 4.16 -6.376138059e-01 -6.376138059e-01 4.18 -6.116209886e-01 -6.116209886e-01 4.20 -5.863245689e-01 -5.863245689e-01 4.22 -5.617677467e-01 -5.617677467e-01 4.24 -5.379868910e-01 -5.379868910e-01 4.26 -5.150090623e-01 -5.150090623e-01 4.28 -4.928504138e-01 -4.928504138e-01 4.30 -4.715155900e-01 -4.715155900e-01 4.32 -4.509980938e-01 -4.509980938e-01 4.34 -4.312814607e-01 -4.312814607e-01 4.36 -4.123409787e-01 -4.123409787e-01 4.38 -3.941456509e-01 -3.941456509e-01 4.40 -3.766601085e-01 -3.766601085e-01 4.42 -3.598462508e-01 -3.598462508e-01 4.44 -3.436644791e-01 -3.436644791e-01 4.46 -3.280744997e-01 -3.280744997e-01 4.48 -3.130357633e-01 -3.130357633e-01 4.50 -2.985076713e-01 -2.985076713e-01 4.52 -2.844497112e-01 -2.844497112e-01 4.54 -2.708216707e-01 -2.708216707e-01 4.56 -2.575840451e-01 -2.575840451e-01 4.58 -2.446986988e-01 -2.446986988e-01 4.60 -2.321297805e-01 -2.321297805e-01 4.62 -2.198448429e-01 -2.198448429e-01 4.64 -2.078160773e-01 -2.078160773e-01 4.66 -1.960215507e-01 -1.960215507e-01 4.68 -1.844463227e-01 -1.844463227e-01 4.70 -1.730833253e-01 -1.730833253e-01 4.72 -1.619338996e-01 -1.619338996e-01 4.74 -1.510079069e-01 -1.510079069e-01 4.76 -1.403233592e-01 -1.403233592e-01 4.78 -1.299055531e-01 -1.299055531e-01 4.80 -1.197857293e-01 -1.197857293e-01 4.82 -1.099993272e-01 -1.099993272e-01 4.84 -1.005839329e-01 -1.005839329e-01 4.86 -9.157707493e-02 -9.157707493e-02 4.88 -8.301402020e-02 -8.301402020e-02 4.90 -7.492573968e-02 -7.492573968e-02 4.92 -6.733719680e-02 -6.733719680e-02 4.94 -6.026607313e-02 -6.026607313e-02 4.96 -5.372202351e-02 -5.372202351e-02 4.98 -4.770645009e-02 -4.770645009e-02 5.00 -4.221277657e-02 -4.221277657e-02 5.02 -3.722714500e-02 -3.722714500e-02 5.04 -3.272979795e-02 -3.272979795e-02 5.06 -2.869564911e-02 -2.869564911e-02 5.08 -2.509538008e-02 -2.509538008e-02 5.10 -2.189739984e-02 -2.189739984e-02 5.12 -1.906892057e-02 -1.906892057e-02 5.14 -1.657692888e-02 -1.657692888e-02 5.16 -1.438897935e-02 -1.438897935e-02 5.18 -1.247366667e-02 -1.247366667e-02 5.20 -1.080158930e-02 -1.080158930e-02 5.22 -9.345374681e-03 -9.345374681e-03 5.24 -8.079776876e-03 -8.079776876e-03 5.26 -6.981775554e-03 -6.981775554e-03 5.28 -6.030581171e-03 -6.030581171e-03 5.30 -5.207571487e-03 -5.207571487e-03 5.32 -4.496180787e-03 -4.496180787e-03 5.34 -3.881759172e-03 -3.881759172e-03 5.36 -3.351415458e-03 -3.351415458e-03 5.38 -2.893853888e-03 -2.893853888e-03 5.40 -2.499211968e-03 -2.499211968e-03 5.42 -2.158904496e-03 -2.158904496e-03 5.44 -1.865476986e-03 -1.865476986e-03 5.46 -1.612470376e-03 -1.612470376e-03 5.48 -1.394297864e-03 -1.394297864e-03 5.50 -1.206134036e-03 -1.206134036e-03 5.52 -1.043815938e-03 -1.043815938e-03 5.54 -9.037554597e-04 -9.037554597e-04 5.56 -7.828621911e-04 -7.828621911e-04 5.58 -6.784758416e-04 -6.784758416e-04 5.60 -5.883072770e-04 -5.883072770e-04 5.62 -5.103872501e-04 -5.103872501e-04 5.64 -4.430219443e-04 -4.430219443e-04 5.66 -3.847545167e-04 -3.847545167e-04 5.68 -3.343318916e-04 -3.343318916e-04 5.70 -2.906761347e-04 -2.906761347e-04 5.72 -2.528598050e-04 -2.528598050e-04 5.74 -2.200847549e-04 -2.200847549e-04 5.76 -1.916639084e-04 -1.916639084e-04 5.78 -1.670056105e-04 -1.670056105e-04 5.80 -1.456001899e-04 -1.456001899e-04 5.82 -1.270084251e-04 -1.270084251e-04 5.84 -1.108516475e-04 -1.108516475e-04 5.86 -9.680324799e-05 -9.680324799e-05 5.88 -8.458139003e-05 -8.458139003e-05 5.90 -7.394275527e-05 -7.394275527e-05 5.92 -6.467717613e-05 -6.467717613e-05 5.94 -5.660302769e-05 -5.660302769e-05 5.96 -4.956327090e-05 -4.956327090e-05 5.98 -4.342205384e-05 -4.342205384e-05 6.00 -3.806179141e-05 -3.806179141e-05