# 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 = AgFe2Mg # 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 2.763573017e+02 2.763573017e+02 1.30 2.539572718e+02 2.539572718e+02 1.32 2.333660542e+02 2.333660542e+02 1.34 2.144267477e+02 2.144267477e+02 1.36 1.969990665e+02 1.969990665e+02 1.38 1.809576686e+02 1.809576686e+02 1.40 1.661898602e+02 1.661898602e+02 1.42 1.525933616e+02 1.525933616e+02 1.44 1.400746315e+02 1.400746315e+02 1.46 1.285478603e+02 1.285478603e+02 1.48 1.179344442e+02 1.179344442e+02 1.50 1.081625582e+02 1.081625582e+02 1.52 9.916649630e+01 9.916649630e+01 1.54 9.088578417e+01 9.088578417e+01 1.56 8.326436396e+01 8.326436396e+01 1.58 7.625006925e+01 7.625006925e+01 1.60 6.979419459e+01 6.979419459e+01 1.62 6.385197594e+01 6.385197594e+01 1.64 5.838329354e+01 5.838329354e+01 1.66 5.334990273e+01 5.334990273e+01 1.68 4.871643635e+01 4.871643635e+01 1.70 4.445046204e+01 4.445046204e+01 1.72 4.052233116e+01 4.052233116e+01 1.74 3.690498650e+01 3.690498650e+01 1.76 3.357374589e+01 3.357374589e+01 1.78 3.050610012e+01 3.050610012e+01 1.80 2.768153067e+01 2.768153067e+01 1.82 2.508133190e+01 2.508133190e+01 1.84 2.268841508e+01 2.268841508e+01 1.86 2.048710756e+01 2.048710756e+01 1.88 1.846295334e+01 1.846295334e+01 1.90 1.660252869e+01 1.660252869e+01 1.92 1.489327641e+01 1.489327641e+01 1.94 1.332337487e+01 1.332337487e+01 1.96 1.188165682e+01 1.188165682e+01 1.98 1.055759083e+01 1.055759083e+01 2.00 9.341313969e+00 9.341313969e+00 2.02 8.223690643e+00 8.223690643e+00 2.04 7.196369472e+00 7.196369472e+00 2.06 6.251811884e+00 6.251811884e+00 2.08 5.383275760e+00 5.383275760e+00 2.10 4.584754031e+00 4.584754031e+00 2.12 3.850882514e+00 3.850882514e+00 2.14 3.176836391e+00 3.176836391e+00 2.16 2.558233982e+00 2.558233982e+00 2.18 1.991056401e+00 1.991056401e+00 2.20 1.471588155e+00 1.471588155e+00 2.22 9.963753675e-01 9.963753675e-01 2.24 5.621999875e-01 5.621999875e-01 2.26 1.660644850e-01 1.660644850e-01 2.28 -1.948186771e-01 -1.948186771e-01 2.30 -5.230348861e-01 -5.230348861e-01 2.32 -8.209793203e-01 -8.209793203e-01 2.34 -1.090867957e+00 -1.090867957e+00 2.36 -1.334752766e+00 -1.334752766e+00 2.38 -1.554536109e+00 -1.554536109e+00 2.40 -1.751985357e+00 -1.751985357e+00 2.42 -1.928747489e+00 -1.928747489e+00 2.44 -2.086362251e+00 -2.086362251e+00 2.46 -2.226274836e+00 -2.226274836e+00 2.48 -2.349851738e+00 -2.349851738e+00 2.50 -2.458378268e+00 -2.458378268e+00 2.52 -2.553058481e+00 -2.553058481e+00 2.54 -2.635033711e+00 -2.635033711e+00 2.56 -2.705383678e+00 -2.705383678e+00 2.58 -2.765126524e+00 -2.765126524e+00 2.60 -2.815217744e+00 -2.815217744e+00 2.62 -2.856537117e+00 -2.856537117e+00 2.64 -2.889722316e+00 -2.889722316e+00 2.66 -2.915209072e+00 -2.915209072e+00 2.68 -2.933215765e+00 -2.933215765e+00 2.70 -2.943978635e+00 -2.943978635e+00 2.72 -2.947760316e+00 -2.947760316e+00 2.74 -2.944846777e+00 -2.944846777e+00 2.76 -2.935549027e+00 -2.935549027e+00 2.78 -2.920207808e+00 -2.920207808e+00 2.80 -2.899206074e+00 -2.899206074e+00 2.82 -2.872964316e+00 -2.872964316e+00 2.84 -2.841931375e+00 -2.841931375e+00 2.86 -2.806577054e+00 -2.806577054e+00 2.88 -2.767380640e+00 -2.767380640e+00 2.90 -2.724816625e+00 -2.724816625e+00 2.92 -2.679339915e+00 -2.679339915e+00 2.94 -2.631372923e+00 -2.631372923e+00 2.96 -2.581296455e+00 -2.581296455e+00 2.98 -2.529449866e+00 -2.529449866e+00 3.00 -2.476146099e+00 -2.476146099e+00 3.02 -2.421602530e+00 -2.421602530e+00 3.04 -2.365996212e+00 -2.365996212e+00 3.06 -2.309481559e+00 -2.309481559e+00 3.08 -2.252194359e+00 -2.252194359e+00 3.10 -2.194256097e+00 -2.194256097e+00 3.12 -2.135726320e+00 -2.135726320e+00 3.14 -2.076603078e+00 -2.076603078e+00 3.16 -2.016898035e+00 -2.016898035e+00 3.18 -1.956648735e+00 -1.956648735e+00 3.20 -1.895925726e+00 -1.895925726e+00 3.22 -1.834839550e+00 -1.834839550e+00 3.24 -1.773545631e+00 -1.773545631e+00 3.26 -1.712245514e+00 -1.712245514e+00 3.28 -1.651183288e+00 -1.651183288e+00 3.30 -1.590636797e+00 -1.590636797e+00 3.32 -1.530904186e+00 -1.530904186e+00 3.34 -1.472287274e+00 -1.472287274e+00 3.36 -1.415073915e+00 -1.415073915e+00 3.38 -1.359521702e+00 -1.359521702e+00 3.40 -1.305845003e+00 -1.305845003e+00 3.42 -1.254206981e+00 -1.254206981e+00 3.44 -1.204715978e+00 -1.204715978e+00 3.46 -1.157427223e+00 -1.157427223e+00 3.48 -1.112347783e+00 -1.112347783e+00 3.50 -1.069443947e+00 -1.069443947e+00 3.52 -1.028649762e+00 -1.028649762e+00 3.54 -9.898756572e-01 -9.898756572e-01 3.56 -9.530164413e-01 -9.530164413e-01 3.58 -9.179581889e-01 -9.179581889e-01 3.60 -8.845838284e-01 -8.845838284e-01 3.62 -8.527774126e-01 -8.527774126e-01 3.64 -8.224271847e-01 -8.224271847e-01 3.66 -7.934276212e-01 -7.934276212e-01 3.68 -7.656806533e-01 -7.656806533e-01 3.70 -7.390962677e-01 -7.390962677e-01 3.72 -7.135926585e-01 -7.135926585e-01 3.74 -6.890960742e-01 -6.890960742e-01 3.76 -6.655404629e-01 -6.655404629e-01 3.78 -6.428669865e-01 -6.428669865e-01 3.80 -6.210234437e-01 -6.210234437e-01 3.82 -5.999636170e-01 -5.999636170e-01 3.84 -5.796465508e-01 -5.796465508e-01 3.86 -5.600357653e-01 -5.600357653e-01 3.88 -5.410984271e-01 -5.410984271e-01 3.90 -5.228045161e-01 -5.228045161e-01 3.92 -5.051259372e-01 -5.051259372e-01 3.94 -4.880363102e-01 -4.880363102e-01 3.96 -4.715097468e-01 -4.715097468e-01 3.98 -4.555210532e-01 -4.555210532e-01 4.00 -4.400454688e-01 -4.400454688e-01 4.02 -4.250586959e-01 -4.250586959e-01 4.04 -4.105370418e-01 -4.105370418e-01 4.06 -3.964576269e-01 -3.964576269e-01 4.08 -3.827986254e-01 -3.827986254e-01 4.10 -3.695391678e-01 -3.695391678e-01 4.12 -3.566610495e-01 -3.566610495e-01 4.14 -3.441466611e-01 -3.441466611e-01 4.16 -3.319808503e-01 -3.319808503e-01 4.18 -3.201506937e-01 -3.201506937e-01 4.20 -3.086456698e-01 -3.086456698e-01 4.22 -2.974577728e-01 -2.974577728e-01 4.24 -2.865815399e-01 -2.865815399e-01 4.26 -2.760139605e-01 -2.760139605e-01 4.28 -2.657542430e-01 -2.657542430e-01 4.30 -2.558034232e-01 -2.558034232e-01 4.32 -2.461638215e-01 -2.461638215e-01 4.34 -2.368383772e-01 -2.368383772e-01 4.36 -2.278299155e-01 -2.278299155e-01 4.38 -2.191403938e-01 -2.191403938e-01 4.40 -2.107702395e-01 -2.107702395e-01 4.42 -2.027178283e-01 -2.027178283e-01 4.44 -1.949791464e-01 -1.949791464e-01 4.46 -1.875474887e-01 -1.875474887e-01 4.48 -1.804130669e-01 -1.804130669e-01 4.50 -1.735652641e-01 -1.735652641e-01 4.52 -1.669915626e-01 -1.669915626e-01 4.54 -1.606777931e-01 -1.606777931e-01 4.56 -1.546086701e-01 -1.546086701e-01 4.58 -1.487682889e-01 -1.487682889e-01 4.60 -1.431405565e-01 -1.431405565e-01 4.62 -1.377095482e-01 -1.377095482e-01 4.64 -1.324597900e-01 -1.324597900e-01 4.66 -1.273764769e-01 -1.273764769e-01 4.68 -1.224456405e-01 -1.224456405e-01 4.70 -1.176542809e-01 -1.176542809e-01 4.72 -1.129904767e-01 -1.129904767e-01 4.74 -1.084434851e-01 -1.084434851e-01 4.76 -1.040038406e-01 -1.040038406e-01 4.78 -9.966345548e-02 -9.966345548e-02 4.80 -9.541551724e-02 -9.541551724e-02 4.82 -9.125545323e-02 -9.125545323e-02 4.84 -8.717965822e-02 -8.717965822e-02 4.86 -8.318650697e-02 -8.318650697e-02 4.88 -7.927618134e-02 -7.927618134e-02 4.90 -7.545061829e-02 -7.545061829e-02 4.92 -7.171341608e-02 -7.171341608e-02 4.94 -6.806966220e-02 -6.806966220e-02 4.96 -6.452567560e-02 -6.452567560e-02 4.98 -6.108866697e-02 -6.108866697e-02 5.00 -5.776633089e-02 -5.776633089e-02 5.02 -5.456639348e-02 -5.456639348e-02 5.04 -5.149614704e-02 -5.149614704e-02 5.06 -4.856200730e-02 -4.856200730e-02 5.08 -4.576912830e-02 -4.576912830e-02 5.10 -4.312110469e-02 -4.312110469e-02 5.12 -4.061978139e-02 -4.061978139e-02 5.14 -3.826517934e-02 -3.826517934e-02 5.16 -3.605553336e-02 -3.605553336e-02 5.18 -3.398742831e-02 -3.398742831e-02 5.20 -3.205600973e-02 -3.205600973e-02 5.22 -3.025524789e-02 -3.025524789e-02 5.24 -2.857822633e-02 -2.857822633e-02 5.26 -2.701743265e-02 -2.701743265e-02 5.28 -2.556503310e-02 -2.556503310e-02 5.30 -2.421311764e-02 -2.421311764e-02 5.32 -2.295390719e-02 -2.295390719e-02 5.34 -2.177991913e-02 -2.177991913e-02 5.36 -2.068409085e-02 -2.068409085e-02 5.38 -1.965986322e-02 -1.965986322e-02 5.40 -1.870122778e-02 -1.870122778e-02 5.42 -1.780270057e-02 -1.780270057e-02 5.44 -1.695931500e-02 -1.695931500e-02 5.46 -1.616674406e-02 -1.616674406e-02 5.48 -1.542113327e-02 -1.542113327e-02 5.50 -1.471904134e-02 -1.471904134e-02 5.52 -1.405738150e-02 -1.405738150e-02 5.54 -1.343336281e-02 -1.343336281e-02 5.56 -1.284443557e-02 -1.284443557e-02 5.58 -1.228824380e-02 -1.228824380e-02 5.60 -1.176258664e-02 -1.176258664e-02 5.62 -1.126538924e-02 -1.126538924e-02 5.64 -1.079468264e-02 -1.079468264e-02 5.66 -1.034859142e-02 -1.034859142e-02 5.68 -9.925327299e-03 -9.925327299e-03 5.70 -9.523186965e-03 -9.523186965e-03 5.72 -9.140552220e-03 -9.140552220e-03 5.74 -8.775891122e-03 -8.775891122e-03 5.76 -8.427758999e-03 -8.427758999e-03 5.78 -8.094798713e-03 -8.094798713e-03 5.80 -7.775739842e-03 -7.775739842e-03 5.82 -7.469396748e-03 -7.469396748e-03 5.84 -7.174665706e-03 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