# 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 = Au2CoMg # 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 3.277809697e+02 3.277809697e+02 1.30 3.032973090e+02 3.032973090e+02 1.32 2.806578965e+02 2.806578965e+02 1.34 2.597132198e+02 2.597132198e+02 1.36 2.403271794e+02 2.403271794e+02 1.38 2.223758423e+02 2.223758423e+02 1.40 2.057462754e+02 2.057462754e+02 1.42 1.903353136e+02 1.903353136e+02 1.44 1.760484954e+02 1.760484954e+02 1.46 1.627991882e+02 1.627991882e+02 1.48 1.505077309e+02 1.505077309e+02 1.50 1.391007271e+02 1.391007271e+02 1.52 1.285107020e+02 1.285107020e+02 1.54 1.186758706e+02 1.186758706e+02 1.56 1.095396574e+02 1.095396574e+02 1.58 1.010500042e+02 1.010500042e+02 1.60 9.315877192e+01 9.315877192e+01 1.62 8.582137389e+01 8.582137389e+01 1.64 7.899657010e+01 7.899657010e+01 1.66 7.264628280e+01 7.264628280e+01 1.68 6.674253586e+01 6.674253586e+01 1.70 6.127425875e+01 6.127425875e+01 1.72 5.621084005e+01 5.621084005e+01 1.74 5.152245419e+01 5.152245419e+01 1.76 4.718160956e+01 4.718160956e+01 1.78 4.316315684e+01 4.316315684e+01 1.80 3.944389820e+01 3.944389820e+01 1.82 3.600230209e+01 3.600230209e+01 1.84 3.281833666e+01 3.281833666e+01 1.86 2.987339704e+01 2.987339704e+01 1.88 2.715025427e+01 2.715025427e+01 1.90 2.463297362e+01 2.463297362e+01 1.92 2.230679318e+01 2.230679318e+01 1.94 2.015798058e+01 2.015798058e+01 1.96 1.817370200e+01 1.817370200e+01 1.98 1.634191968e+01 1.634191968e+01 2.00 1.465133661e+01 1.465133661e+01 2.02 1.309139223e+01 1.309139223e+01 2.04 1.165228982e+01 1.165228982e+01 2.06 1.032501381e+01 1.032501381e+01 2.08 9.101305840e+00 9.101305840e+00 2.10 7.973601000e+00 7.973601000e+00 2.12 6.934943799e+00 6.934943799e+00 2.14 5.978908911e+00 5.978908911e+00 2.16 5.099537797e+00 5.099537797e+00 2.18 4.291293177e+00 4.291293177e+00 2.20 3.549028746e+00 3.549028746e+00 2.22 2.867965763e+00 2.867965763e+00 2.24 2.243673729e+00 2.243673729e+00 2.26 1.672051936e+00 1.672051936e+00 2.28 1.149309792e+00 1.149309792e+00 2.30 6.719469468e-01 6.719469468e-01 2.32 2.367298966e-01 2.367298966e-01 2.34 -1.593316978e-01 -1.593316978e-01 2.36 -5.190086866e-01 -5.190086866e-01 2.38 -8.448750043e-01 -8.448750043e-01 2.40 -1.139328847e+00 -1.139328847e+00 2.42 -1.404612985e+00 -1.404612985e+00 2.44 -1.642832963e+00 -1.642832963e+00 2.46 -1.855974134e+00 -1.855974134e+00 2.48 -2.045915550e+00 -2.045915550e+00 2.50 -2.214441118e+00 -2.214441118e+00 2.52 -2.363251586e+00 -2.363251586e+00 2.54 -2.494013671e+00 -2.494013671e+00 2.56 -2.608248610e+00 -2.608248610e+00 2.58 -2.707391452e+00 -2.707391452e+00 2.60 -2.792897821e+00 -2.792897821e+00 2.62 -2.866158317e+00 -2.866158317e+00 2.64 -2.928190121e+00 -2.928190121e+00 2.66 -2.979933795e+00 -2.979933795e+00 2.68 -3.022238810e+00 -3.022238810e+00 2.70 -3.055806316e+00 -3.055806316e+00 2.72 -3.081228361e+00 -3.081228361e+00 2.74 -3.099041081e+00 -3.099041081e+00 2.76 -3.109730249e+00 -3.109730249e+00 2.78 -3.113738640e+00 -3.113738640e+00 2.80 -3.111490033e+00 -3.111490033e+00 2.82 -3.103394318e+00 -3.103394318e+00 2.84 -3.089849648e+00 -3.089849648e+00 2.86 -3.071242615e+00 -3.071242615e+00 2.88 -3.047948448e+00 -3.047948448e+00 2.90 -3.020331916e+00 -3.020331916e+00 2.92 -2.988749460e+00 -2.988749460e+00 2.94 -2.953552720e+00 -2.953552720e+00 2.96 -2.915093159e+00 -2.915093159e+00 2.98 -2.873726900e+00 -2.873726900e+00 3.00 -2.829818363e+00 -2.829818363e+00 3.02 -2.783740985e+00 -2.783740985e+00 3.04 -2.735873413e+00 -2.735873413e+00 3.06 -2.686591731e+00 -2.686591731e+00 3.08 -2.636256125e+00 -2.636256125e+00 3.10 -2.585198244e+00 -2.585198244e+00 3.12 -2.533709251e+00 -2.533709251e+00 3.14 -2.482033533e+00 -2.482033533e+00 3.16 -2.430365993e+00 -2.430365993e+00 3.18 -2.378856586e+00 -2.378856586e+00 3.20 -2.327617259e+00 -2.327617259e+00 3.22 -2.276730731e+00 -2.276730731e+00 3.24 -2.226270035e+00 -2.226270035e+00 3.26 -2.176289998e+00 -2.176289998e+00 3.28 -2.126813882e+00 -2.126813882e+00 3.30 -2.077865005e+00 -2.077865005e+00 3.32 -2.029468288e+00 -2.029468288e+00 3.34 -1.981650302e+00 -1.981650302e+00 3.36 -1.934438575e+00 -1.934438575e+00 3.38 -1.887860661e+00 -1.887860661e+00 3.40 -1.841941412e+00 -1.841941412e+00 3.42 -1.796684043e+00 -1.796684043e+00 3.44 -1.752080839e+00 -1.752080839e+00 3.46 -1.708129038e+00 -1.708129038e+00 3.48 -1.664829840e+00 -1.664829840e+00 3.50 -1.622187362e+00 -1.622187362e+00 3.52 -1.580207660e+00 -1.580207660e+00 3.54 -1.538897823e+00 -1.538897823e+00 3.56 -1.498265162e+00 -1.498265162e+00 3.58 -1.458316515e+00 -1.458316515e+00 3.60 -1.419057700e+00 -1.419057700e+00 3.62 -1.380493124e+00 -1.380493124e+00 3.64 -1.342625550e+00 -1.342625550e+00 3.66 -1.305456020e+00 -1.305456020e+00 3.68 -1.268983925e+00 -1.268983925e+00 3.70 -1.233207176e+00 -1.233207176e+00 3.72 -1.198122467e+00 -1.198122467e+00 3.74 -1.163725584e+00 -1.163725584e+00 3.76 -1.130011715e+00 -1.130011715e+00 3.78 -1.096975736e+00 -1.096975736e+00 3.80 -1.064612422e+00 -1.064612422e+00 3.82 -1.032916564e+00 -1.032916564e+00 3.84 -1.001882971e+00 -1.001882971e+00 3.86 -9.715063467e-01 -9.715063467e-01 3.88 -9.417810555e-01 -9.417810555e-01 3.90 -9.127008128e-01 -9.127008128e-01 3.92 -8.842582563e-01 -8.842582563e-01 3.94 -8.564450104e-01 -8.564450104e-01 3.96 -8.292508655e-01 -8.292508655e-01 3.98 -8.026640981e-01 -8.026640981e-01 4.00 -7.766714052e-01 -7.766714052e-01 4.02 -7.512581000e-01 -7.512581000e-01 4.04 -7.264084508e-01 -7.264084508e-01 4.06 -7.021061474e-01 -7.021061474e-01 4.08 -6.783348826e-01 -6.783348826e-01 4.10 -6.550787540e-01 -6.550787540e-01 4.12 -6.323242317e-01 -6.323242317e-01 4.14 -6.100591104e-01 -6.100591104e-01 4.16 -5.882747083e-01 -5.882747083e-01 4.18 -5.669663329e-01 -5.669663329e-01 4.20 -5.461339726e-01 -5.461339726e-01 4.22 -5.257827431e-01 -5.257827431e-01 4.24 -5.059229700e-01 -5.059229700e-01 4.26 -4.865698036e-01 -4.865698036e-01 4.28 -4.677423028e-01 -4.677423028e-01 4.30 -4.494620009e-01 -4.494620009e-01 4.32 -4.317510498e-01 -4.317510498e-01 4.34 -4.146301257e-01 -4.146301257e-01 4.36 -3.981163365e-01 -3.981163365e-01 4.38 -3.822213851e-01 -3.822213851e-01 4.40 -3.669502007e-01 -3.669502007e-01 4.42 -3.523001743e-01 -3.523001743e-01 4.44 -3.382610290e-01 -3.382610290e-01 4.46 -3.248152680e-01 -3.248152680e-01 4.48 -3.119390669e-01 -3.119390669e-01 4.50 -2.996034508e-01 -2.996034508e-01 4.52 -2.877755924e-01 -2.877755924e-01 4.54 -2.764200957e-01 -2.764200957e-01 4.56 -2.655001685e-01 -2.655001685e-01 4.58 -2.549786293e-01 -2.549786293e-01 4.60 -2.448187298e-01 -2.448187298e-01 4.62 -2.349848045e-01 -2.349848045e-01 4.64 -2.254427749e-01 -2.254427749e-01 4.66 -2.161605463e-01 -2.161605463e-01 4.68 -2.071083373e-01 -2.071083373e-01 4.70 -1.982589794e-01 -1.982589794e-01 4.72 -1.895882151e-01 -1.895882151e-01 4.74 -1.810750169e-01 -1.810750169e-01 4.76 -1.727019359e-01 -1.727019359e-01 4.78 -1.644554754e-01 -1.644554754e-01 4.80 -1.563262802e-01 -1.563262802e-01 4.82 -1.483103018e-01 -1.483103018e-01 4.84 -1.404078203e-01 -1.404078203e-01 4.86 -1.326244968e-01 -1.326244968e-01 4.88 -1.249711203e-01 -1.249711203e-01 4.90 -1.174633487e-01 -1.174633487e-01 4.92 -1.101211693e-01 -1.101211693e-01 4.94 -1.029680630e-01 -1.029680630e-01 4.96 -9.602989063e-02 -9.602989063e-02 4.98 -8.933355831e-02 -8.933355831e-02 5.00 -8.290555554e-02 -8.290555554e-02 5.02 -7.677048295e-02 -7.677048295e-02 5.04 -7.094969746e-02 -7.094969746e-02 5.06 -6.546019095e-02 -6.546019095e-02 5.08 -6.031379087e-02 -6.031379087e-02 5.10 -5.551673627e-02 -5.551673627e-02 5.12 -5.106961442e-02 -5.106961442e-02 5.14 -4.696764502e-02 -4.696764502e-02 5.16 -4.320125072e-02 -4.320125072e-02 5.18 -3.975680869e-02 -3.975680869e-02 5.20 -3.661744726e-02 -3.661744726e-02 5.22 -3.376325365e-02 -3.376325365e-02 5.24 -3.117401998e-02 -3.117401998e-02 5.26 -2.882900566e-02 -2.882900566e-02 5.28 -2.670715567e-02 -2.670715567e-02 5.30 -2.478777383e-02 -2.478777383e-02 5.32 -2.305111180e-02 -2.305111180e-02 5.34 -2.147855761e-02 -2.147855761e-02 5.36 -2.005285523e-02 -2.005285523e-02 5.38 -1.875820849e-02 -1.875820849e-02 5.40 -1.758031662e-02 -1.758031662e-02 5.42 -1.650642701e-02 -1.650642701e-02 5.44 -1.552521403e-02 -1.552521403e-02 5.46 -1.462667682e-02 -1.462667682e-02 5.48 -1.380202032e-02 -1.380202032e-02 5.50 -1.304352608e-02 -1.304352608e-02 5.52 -1.234442099e-02 -1.234442099e-02 5.54 -1.169875056e-02 -1.169875056e-02 5.56 -1.110126154e-02 -1.110126154e-02 5.58 -1.054729712e-02 -1.054729712e-02 5.60 -1.003270649e-02 -1.003270649e-02 5.62 -9.553769153e-03 -9.553769153e-03 5.64 -9.107133217e-03 -9.107133217e-03 5.66 -8.689765997e-03 -8.689765997e-03 5.68 -8.298915000e-03 -8.298915000e-03 5.70 -7.932077037e-03 -7.932077037e-03 5.72 -7.586973408e-03 -7.586973408e-03 5.74 -7.261529410e-03 -7.261529410e-03 5.76 -6.953856769e-03 -6.953856769e-03 5.78 -6.662238012e-03 -6.662238012e-03 5.80 -6.385112152e-03 -6.385112152e-03 5.82 -6.121061328e-03 -6.121061328e-03 5.84 -5.868798267e-03 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