# 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 = AgAuFe2 # 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 2.565209150e+02 2.565209150e+02 1.30 2.356889559e+02 2.356889559e+02 1.32 2.165200227e+02 2.165200227e+02 1.34 1.988753054e+02 1.988753054e+02 1.36 1.826294219e+02 1.826294219e+02 1.38 1.676682941e+02 1.676682941e+02 1.40 1.538875150e+02 1.538875150e+02 1.42 1.411912373e+02 1.411912373e+02 1.44 1.294915129e+02 1.294915129e+02 1.46 1.187078547e+02 1.187078547e+02 1.48 1.087668119e+02 1.087668119e+02 1.50 9.960146824e+01 9.960146824e+01 1.52 9.115075485e+01 9.115075485e+01 1.54 8.335853204e+01 8.335853204e+01 1.56 7.617266791e+01 7.617266791e+01 1.58 6.954443777e+01 6.954443777e+01 1.60 6.342833421e+01 6.342833421e+01 1.62 5.778213374e+01 5.778213374e+01 1.64 5.256703550e+01 5.256703550e+01 1.66 4.775266135e+01 4.775266135e+01 1.68 4.331985408e+01 4.331985408e+01 1.70 3.924127639e+01 3.924127639e+01 1.72 3.549060516e+01 3.549060516e+01 1.74 3.204382563e+01 3.204382563e+01 1.76 2.887879099e+01 2.887879099e+01 1.78 2.597464446e+01 2.597464446e+01 1.80 2.331152835e+01 2.331152835e+01 1.82 2.087056690e+01 2.087056690e+01 1.84 1.863399879e+01 1.863399879e+01 1.86 1.658531583e+01 1.658531583e+01 1.88 1.470931437e+01 1.470931437e+01 1.90 1.299203549e+01 1.299203549e+01 1.92 1.142061969e+01 1.142061969e+01 1.94 9.983125886e+00 9.983125886e+00 1.96 8.668369944e+00 8.668369944e+00 1.98 7.465830444e+00 7.465830444e+00 2.00 6.365645602e+00 6.365645602e+00 2.02 5.358686268e+00 5.358686268e+00 2.04 4.436653790e+00 4.436653790e+00 2.06 3.592142157e+00 3.592142157e+00 2.08 2.818628181e+00 2.818628181e+00 2.10 2.110391194e+00 2.110391194e+00 2.12 1.462389615e+00 1.462389615e+00 2.14 8.701271907e-01 8.701271907e-01 2.16 3.295337434e-01 3.295337434e-01 2.18 -1.631266014e-01 -1.631266014e-01 2.20 -6.113172318e-01 -6.113172318e-01 2.22 -1.018265671e+00 -1.018265671e+00 2.24 -1.386983263e+00 -1.386983263e+00 2.26 -1.720276134e+00 -1.720276134e+00 2.28 -2.020753297e+00 -2.020753297e+00 2.30 -2.290834965e+00 -2.290834965e+00 2.32 -2.532762200e+00 -2.532762200e+00 2.34 -2.748608046e+00 -2.748608046e+00 2.36 -2.940289981e+00 -2.940289981e+00 2.38 -3.109583409e+00 -3.109583409e+00 2.40 -3.258135912e+00 -3.258135912e+00 2.42 -3.387482021e+00 -3.387482021e+00 2.44 -3.499058267e+00 -3.499058267e+00 2.46 -3.594218049e+00 -3.594218049e+00 2.48 -3.674245539e+00 -3.674245539e+00 2.50 -3.740367612e+00 -3.740367612e+00 2.52 -3.793777289e+00 -3.793777289e+00 2.54 -3.835696121e+00 -3.835696121e+00 2.56 -3.867128744e+00 -3.867128744e+00 2.58 -3.889032367e+00 -3.889032367e+00 2.60 -3.902339920e+00 -3.902339920e+00 2.62 -3.907927007e+00 -3.907927007e+00 2.64 -3.906610051e+00 -3.906610051e+00 2.66 -3.899126708e+00 -3.899126708e+00 2.68 -3.886116444e+00 -3.886116444e+00 2.70 -3.868125812e+00 -3.868125812e+00 2.72 -3.845706536e+00 -3.845706536e+00 2.74 -3.818875989e+00 -3.818875989e+00 2.76 -3.787438432e+00 -3.787438432e+00 2.78 -3.751290992e+00 -3.751290992e+00 2.80 -3.710421470e+00 -3.710421470e+00 2.82 -3.664901785e+00 -3.664901785e+00 2.84 -3.614879952e+00 -3.614879952e+00 2.86 -3.560575281e+00 -3.560575281e+00 2.88 -3.502268351e+00 -3.502268351e+00 2.90 -3.440275349e+00 -3.440275349e+00 2.92 -3.374932405e+00 -3.374932405e+00 2.94 -3.306582510e+00 -3.306582510e+00 2.96 -3.235565304e+00 -3.235565304e+00 2.98 -3.162210502e+00 -3.162210502e+00 3.00 -3.086834777e+00 -3.086834777e+00 3.02 -3.009741066e+00 -3.009741066e+00 3.04 -2.931218880e+00 -2.931218880e+00 3.06 -2.851544341e+00 -2.851544341e+00 3.08 -2.770979410e+00 -2.770979410e+00 3.10 -2.689770739e+00 -2.689770739e+00 3.12 -2.608149289e+00 -2.608149289e+00 3.14 -2.526332034e+00 -2.526332034e+00 3.16 -2.444526440e+00 -2.444526440e+00 3.18 -2.362937433e+00 -2.362937433e+00 3.20 -2.281775477e+00 -2.281775477e+00 3.22 -2.201263826e+00 -2.201263826e+00 3.24 -2.121642984e+00 -2.121642984e+00 3.26 -2.043170950e+00 -2.043170950e+00 3.28 -1.966118702e+00 -1.966118702e+00 3.30 -1.890761323e+00 -1.890761323e+00 3.32 -1.817366040e+00 -1.817366040e+00 3.34 -1.746178951e+00 -1.746178951e+00 3.36 -1.677412428e+00 -1.677412428e+00 3.38 -1.611234945e+00 -1.611234945e+00 3.40 -1.547764540e+00 -1.547764540e+00 3.42 -1.487066465e+00 -1.487066465e+00 3.44 -1.429154841e+00 -1.429154841e+00 3.46 -1.373997640e+00 -1.373997640e+00 3.48 -1.321523945e+00 -1.321523945e+00 3.50 -1.271632420e+00 -1.271632420e+00 3.52 -1.224199965e+00 -1.224199965e+00 3.54 -1.179089809e+00 -1.179089809e+00 3.56 -1.136158529e+00 -1.136158529e+00 3.58 -1.095261756e+00 -1.095261756e+00 3.60 -1.056258502e+00 -1.056258502e+00 3.62 -1.019014226e+00 -1.019014226e+00 3.64 -9.834027867e-01 -9.834027867e-01 3.66 -9.493075053e-01 -9.493075053e-01 3.68 -9.166215416e-01 -9.166215416e-01 3.70 -8.852477724e-01 -8.852477724e-01 3.72 -8.550983310e-01 -8.550983310e-01 3.74 -8.260939363e-01 -8.260939363e-01 3.76 -7.981631079e-01 -7.981631079e-01 3.78 -7.712413376e-01 -7.712413376e-01 3.80 -7.452702675e-01 -7.452702675e-01 3.82 -7.201969049e-01 -7.201969049e-01 3.84 -6.959728957e-01 -6.959728957e-01 3.86 -6.725538659e-01 -6.725538659e-01 3.88 -6.498988368e-01 -6.498988368e-01 3.90 -6.279697145e-01 -6.279697145e-01 3.92 -6.067308537e-01 -6.067308537e-01 3.94 -5.861486959e-01 -5.861486959e-01 3.96 -5.661914729e-01 -5.661914729e-01 3.98 -5.468289874e-01 -5.468289874e-01 4.00 -5.280324611e-01 -5.280324611e-01 4.02 -5.097744554e-01 -5.097744554e-01 4.04 -4.920288671e-01 -4.920288671e-01 4.06 -4.747709995e-01 -4.747709995e-01 4.08 -4.579777120e-01 -4.579777120e-01 4.10 -4.416276415e-01 -4.416276415e-01 4.12 -4.257015030e-01 -4.257015030e-01 4.14 -4.101824207e-01 -4.101824207e-01 4.16 -3.950563107e-01 -3.950563107e-01 4.18 -3.803122427e-01 -3.803122427e-01 4.20 -3.659427487e-01 -3.659427487e-01 4.22 -3.519440160e-01 -3.519440160e-01 4.24 -3.383159053e-01 -3.383159053e-01 4.26 -3.250617357e-01 -3.250617357e-01 4.28 -3.121877987e-01 -3.121877987e-01 4.30 -2.997025921e-01 -2.997025921e-01 4.32 -2.876158035e-01 -2.876158035e-01 4.34 -2.759371161e-01 -2.759371161e-01 4.36 -2.646749460e-01 -2.646749460e-01 4.38 -2.538352390e-01 -2.538352390e-01 4.40 -2.434204545e-01 -2.434204545e-01 4.42 -2.334288427e-01 -2.334288427e-01 4.44 -2.238540737e-01 -2.238540737e-01 4.46 -2.146851850e-01 -2.146851850e-01 4.48 -2.059065717e-01 -2.059065717e-01 4.50 -1.974994521e-01 -1.974994521e-01 4.52 -1.894422533e-01 -1.894422533e-01 4.54 -1.817110622e-01 -1.817110622e-01 4.56 -1.742804745e-01 -1.742804745e-01 4.58 -1.671243685e-01 -1.671243685e-01 4.60 -1.602165717e-01 -1.602165717e-01 4.62 -1.535314131e-01 -1.535314131e-01 4.64 -1.470441673e-01 -1.470441673e-01 4.66 -1.407314101e-01 -1.407314101e-01 4.68 -1.345713098e-01 -1.345713098e-01 4.70 -1.285438776e-01 -1.285438776e-01 4.72 -1.226312012e-01 -1.226312012e-01 4.74 -1.168176753e-01 -1.168176753e-01 4.76 -1.110902421e-01 -1.110902421e-01 4.78 -1.054386417e-01 -1.054386417e-01 4.80 -9.985566457e-02 -9.985566457e-02 4.82 -9.433739812e-02 -9.433739812e-02 4.84 -8.888342470e-02 -8.888342470e-02 4.86 -8.349696390e-02 -8.349696390e-02 4.88 -7.818490588e-02 -7.818490588e-02 4.90 -7.295770773e-02 -7.295770773e-02 4.92 -6.782912155e-02 -6.782912155e-02 4.94 -6.281573578e-02 -6.281573578e-02 4.96 -5.793632780e-02 -5.793632780e-02 4.98 -5.321104710e-02 -5.321104710e-02 5.00 -4.866047062e-02 -4.866047062e-02 5.02 -4.430459163e-02 -4.430459163e-02 5.04 -4.016181709e-02 -4.016181709e-02 5.06 -3.624805277e-02 -3.624805277e-02 5.08 -3.257594866e-02 -3.257594866e-02 5.10 -2.915436154e-02 -2.915436154e-02 5.12 -2.598805950e-02 -2.598805950e-02 5.14 -2.307768666e-02 -2.307768666e-02 5.16 -2.041995835e-02 -2.041995835e-02 5.18 -1.800804678e-02 -1.800804678e-02 5.20 -1.583196627e-02 -1.583196627e-02 5.22 -1.387887751e-02 -1.387887751e-02 5.24 -1.213514014e-02 -1.213514014e-02 5.26 -1.058589014e-02 -1.058589014e-02 5.28 -9.215495304e-03 -9.215495304e-03 5.30 -8.008099743e-03 -8.008099743e-03 5.32 -6.948065157e-03 -6.948065157e-03 5.34 -6.020309945e-03 -6.020309945e-03 5.36 -5.210553740e-03 -5.210553740e-03 5.38 -4.505479213e-03 -4.505479213e-03 5.40 -3.892824816e-03 -3.892824816e-03 5.42 -3.361422350e-03 -3.361422350e-03 5.44 -2.901192376e-03 -2.901192376e-03 5.46 -2.503108915e-03 -2.503108915e-03 5.48 -2.159143128e-03 -2.159143128e-03 5.50 -1.862193789e-03 -1.862193789e-03 5.52 -1.606010660e-03 -1.606010660e-03 5.54 -1.385115364e-03 -1.385115364e-03 5.56 -1.194723076e-03 -1.194723076e-03 5.58 -1.030667302e-03 -1.030667302e-03 5.60 -8.893292391e-04 -8.893292391e-04 5.62 -7.675725458e-04 -7.675725458e-04 5.64 -6.626839306e-04 -6.626839306e-04 5.66 -5.723196180e-04 -5.723196180e-04 5.68 -4.944575363e-04 -4.944575363e-04 5.70 -4.273549244e-04 -4.273549244e-04 5.72 -3.695109670e-04 -3.695109670e-04 5.74 -3.196340272e-04 -3.196340272e-04 5.76 -2.766130284e-04 -2.766130284e-04 5.78 -2.394925472e-04 -2.394925472e-04 5.80 -2.074511997e-04 -2.074511997e-04 5.82 -1.797829296e-04 -1.797829296e-04 5.84 -1.558808418e-04 -1.558808418e-04 5.86 -1.352232585e-04 -1.352232585e-04 5.88 -1.173617080e-04 -1.173617080e-04 5.90 -1.019105903e-04 -1.019105903e-04 5.92 -8.853829386e-05 -8.853829386e-05 5.94 -7.695956344e-05 -7.695956344e-05 5.96 -6.692894849e-05 -6.692894849e-05 5.98 -5.823517984e-05 -5.823517984e-05 6.00 -5.069634519e-05 -5.069634519e-05