# 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 = Fe2MgTa # 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 3.198923388e+02 3.198923388e+02 1.30 2.940932090e+02 2.940932090e+02 1.32 2.703490398e+02 2.703490398e+02 1.34 2.484821952e+02 2.484821952e+02 1.36 2.283358859e+02 2.283358859e+02 1.38 2.097713207e+02 2.097713207e+02 1.40 1.926644433e+02 1.926644433e+02 1.42 1.769029649e+02 1.769029649e+02 1.44 1.623839015e+02 1.623839015e+02 1.46 1.490116435e+02 1.490116435e+02 1.48 1.366965630e+02 1.366965630e+02 1.50 1.253542171e+02 1.253542171e+02 1.52 1.149052001e+02 1.149052001e+02 1.54 1.052755221e+02 1.052755221e+02 1.56 9.639716427e+01 9.639716427e+01 1.58 8.820839539e+01 8.820839539e+01 1.60 8.065360522e+01 8.065360522e+01 1.62 7.368271186e+01 7.368271186e+01 1.64 6.725039450e+01 6.725039450e+01 1.66 6.131538167e+01 6.131538167e+01 1.68 5.583990556e+01 5.583990556e+01 1.70 5.079341856e+01 5.079341856e+01 1.72 4.614660582e+01 4.614660582e+01 1.74 4.186904217e+01 4.186904217e+01 1.76 3.793229408e+01 3.793229408e+01 1.78 3.431025269e+01 3.431025269e+01 1.80 3.097908888e+01 3.097908888e+01 1.82 2.791693551e+01 2.791693551e+01 1.84 2.510368468e+01 2.510368468e+01 1.86 2.252074742e+01 2.252074742e+01 1.88 2.015080709e+01 2.015080709e+01 1.90 1.797759814e+01 1.797759814e+01 1.92 1.598572239e+01 1.598572239e+01 1.94 1.416052008e+01 1.416052008e+01 1.96 1.248800801e+01 1.248800801e+01 1.98 1.095490022e+01 1.095490022e+01 2.00 9.548707871e+00 9.548707871e+00 2.02 8.257893106e+00 8.257893106e+00 2.04 7.072030803e+00 7.072030803e+00 2.06 5.981918564e+00 5.981918564e+00 2.08 4.979588736e+00 4.979588736e+00 2.10 4.058212430e+00 4.058212430e+00 2.12 3.211923979e+00 3.211923979e+00 2.14 2.435612515e+00 2.435612515e+00 2.16 1.724725149e+00 1.724725149e+00 2.18 1.075105019e+00 1.075105019e+00 2.20 4.828723508e-01 4.828723508e-01 2.22 -5.565852931e-02 -5.565852931e-02 2.24 -5.440332415e-01 -5.440332415e-01 2.26 -9.856920029e-01 -9.856920029e-01 2.28 -1.383991967e+00 -1.383991967e+00 2.30 -1.742117206e+00 -1.742117206e+00 2.32 -2.063265844e+00 -2.063265844e+00 2.34 -2.350851777e+00 -2.350851777e+00 2.36 -2.608130128e+00 -2.608130128e+00 2.38 -2.838140935e+00 -2.838140935e+00 2.40 -3.043641907e+00 -3.043641907e+00 2.42 -3.226683492e+00 -3.226683492e+00 2.44 -3.388797316e+00 -3.388797316e+00 2.46 -3.531498189e+00 -3.531498189e+00 2.48 -3.656259316e+00 -3.656259316e+00 2.50 -3.764480439e+00 -3.764480439e+00 2.52 -3.857471824e+00 -3.857471824e+00 2.54 -3.936450224e+00 -3.936450224e+00 2.56 -4.002541944e+00 -4.002541944e+00 2.58 -4.056788889e+00 -4.056788889e+00 2.60 -4.100154830e+00 -4.100154830e+00 2.62 -4.133530409e+00 -4.133530409e+00 2.64 -4.157737413e+00 -4.157737413e+00 2.66 -4.173530496e+00 -4.173530496e+00 2.68 -4.181600120e+00 -4.181600120e+00 2.70 -4.182574942e+00 -4.182574942e+00 2.72 -4.177025534e+00 -4.177025534e+00 2.74 -4.165475576e+00 -4.165475576e+00 2.76 -4.148387355e+00 -4.148387355e+00 2.78 -4.126177874e+00 -4.126177874e+00 2.80 -4.099231363e+00 -4.099231363e+00 2.82 -4.067903648e+00 -4.067903648e+00 2.84 -4.032527099e+00 -4.032527099e+00 2.86 -3.993413748e+00 -3.993413748e+00 2.88 -3.950853838e+00 -3.950853838e+00 2.90 -3.904978443e+00 -3.904978443e+00 2.92 -3.855760131e+00 -3.855760131e+00 2.94 -3.803222684e+00 -3.803222684e+00 2.96 -3.747443595e+00 -3.747443595e+00 2.98 -3.688540521e+00 -3.688540521e+00 3.00 -3.626658465e+00 -3.626658465e+00 3.02 -3.561958752e+00 -3.561958752e+00 3.04 -3.494610311e+00 -3.494610311e+00 3.06 -3.424785596e+00 -3.424785596e+00 3.08 -3.352656367e+00 -3.352656367e+00 3.10 -3.278395980e+00 -3.278395980e+00 3.12 -3.202182194e+00 -3.202182194e+00 3.14 -3.124205196e+00 -3.124205196e+00 3.16 -3.044709828e+00 -3.044709828e+00 3.18 -2.963856153e+00 -2.963856153e+00 3.20 -2.881799834e+00 -2.881799834e+00 3.22 -2.798743015e+00 -2.798743015e+00 3.24 -2.714845697e+00 -2.714845697e+00 3.26 -2.630050955e+00 -2.630050955e+00 3.28 -2.544366702e+00 -2.544366702e+00 3.30 -2.457933507e+00 -2.457933507e+00 3.32 -2.371019111e+00 -2.371019111e+00 3.34 -2.284000084e+00 -2.284000084e+00 3.36 -2.197331491e+00 -2.197331491e+00 3.38 -2.111507932e+00 -2.111507932e+00 3.40 -2.027021150e+00 -2.027021150e+00 3.42 -1.944320341e+00 -1.944320341e+00 3.44 -1.863779315e+00 -1.863779315e+00 3.46 -1.785675087e+00 -1.785675087e+00 3.48 -1.710178067e+00 -1.710178067e+00 3.50 -1.637353450e+00 -1.637353450e+00 3.52 -1.567171528e+00 -1.567171528e+00 3.54 -1.499524095e+00 -1.499524095e+00 3.56 -1.434244095e+00 -1.434244095e+00 3.58 -1.371126116e+00 -1.371126116e+00 3.60 -1.309946007e+00 -1.309946007e+00 3.62 -1.250478492e+00 -1.250478492e+00 3.64 -1.192512258e+00 -1.192512258e+00 3.66 -1.135862287e+00 -1.135862287e+00 3.68 -1.080379440e+00 -1.080379440e+00 3.70 -1.025957331e+00 -1.025957331e+00 3.72 -9.725365443e-01 -9.725365443e-01 3.74 -9.201061656e-01 -9.201061656e-01 3.76 -8.687026266e-01 -8.687026266e-01 3.78 -8.184058646e-01 -8.184058646e-01 3.80 -7.693329291e-01 -7.693329291e-01 3.82 -7.216293366e-01 -7.216293366e-01 3.84 -6.754586560e-01 -6.754586560e-01 3.86 -6.309910759e-01 -6.309910759e-01 3.88 -5.883918341e-01 -5.883918341e-01 3.90 -5.478101770e-01 -5.478101770e-01 3.92 -5.093694642e-01 -5.093694642e-01 3.94 -4.731635460e-01 -4.731635460e-01 3.96 -4.392495562e-01 -4.392495562e-01 3.98 -4.076470446e-01 -4.076470446e-01 4.00 -3.783391415e-01 -3.783391415e-01 4.02 -3.512759047e-01 -3.512759047e-01 4.04 -3.263790984e-01 -3.263790984e-01 4.06 -3.035477942e-01 -3.035477942e-01 4.08 -2.826642314e-01 -2.826642314e-01 4.10 -2.635991229e-01 -2.635991229e-01 4.12 -2.462182749e-01 -2.462182749e-01 4.14 -2.303846330e-01 -2.303846330e-01 4.16 -2.159635259e-01 -2.159635259e-01 4.18 -2.028249789e-01 -2.028249789e-01 4.20 -1.908457060e-01 -1.908457060e-01 4.22 -1.799104303e-01 -1.799104303e-01 4.24 -1.699126415e-01 -1.699126415e-01 4.26 -1.607549055e-01 -1.607549055e-01 4.28 -1.523488288e-01 -1.523488288e-01 4.30 -1.446147745e-01 -1.446147745e-01 4.32 -1.374814038e-01 -1.374814038e-01 4.34 -1.308851123e-01 -1.308851123e-01 4.36 -1.247694066e-01 -1.247694066e-01 4.38 -1.190842602e-01 -1.190842602e-01 4.40 -1.137854748e-01 -1.137854748e-01 4.42 -1.088340671e-01 -1.088340671e-01 4.44 -1.041956912e-01 -1.041956912e-01 4.46 -9.984010457e-02 -9.984010457e-02 4.48 -9.574068107e-02 -9.574068107e-02 4.50 -9.187397092e-02 -9.187397092e-02 4.52 -8.821930744e-02 -8.821930744e-02 4.54 -8.475845680e-02 -8.475845680e-02 4.56 -8.147530853e-02 -8.147530853e-02 4.58 -7.835560334e-02 -7.835560334e-02 4.60 -7.538669466e-02 -7.538669466e-02 4.62 -7.255734022e-02 -7.255734022e-02 4.64 -6.985752050e-02 -6.985752050e-02 4.66 -6.727828082e-02 -6.727828082e-02 4.68 -6.481159414e-02 -6.481159414e-02 4.70 -6.245024215e-02 -6.245024215e-02 4.72 -6.018771211e-02 -6.018771211e-02 4.74 -5.801810757e-02 -5.801810757e-02 4.76 -5.593607097e-02 -5.593607097e-02 4.78 -5.393671660e-02 -5.393671660e-02 4.80 -5.201536674e-02 -5.201536674e-02 4.82 -5.016836100e-02 -5.016836100e-02 4.84 -4.839165384e-02 -4.839165384e-02 4.86 -4.668171796e-02 -4.668171796e-02 4.88 -4.503530076e-02 -4.503530076e-02 4.90 -4.344937046e-02 -4.344937046e-02 4.92 -4.192108916e-02 -4.192108916e-02 4.94 -4.044779123e-02 -4.044779123e-02 4.96 -3.902696474e-02 -3.902696474e-02 4.98 -3.765623459e-02 -3.765623459e-02 5.00 -3.633334855e-02 -3.633334855e-02 5.02 -3.505616515e-02 -3.505616515e-02 5.04 -3.382264341e-02 -3.382264341e-02 5.06 -3.263083426e-02 -3.263083426e-02 5.08 -3.147887366e-02 -3.147887366e-02 5.10 -3.036497737e-02 -3.036497737e-02 5.12 -2.928743751e-02 -2.928743751e-02 5.14 -2.824462074e-02 -2.824462074e-02 5.16 -2.723496834e-02 -2.723496834e-02 5.18 -2.625699817e-02 -2.625699817e-02 5.20 -2.530930843e-02 -2.530930843e-02 5.22 -2.439058331e-02 -2.439058331e-02 5.24 -2.349960030e-02 -2.349960030e-02 5.26 -2.263523887e-02 -2.263523887e-02 5.28 -2.179648992e-02 -2.179648992e-02 5.30 -2.098246541e-02 -2.098246541e-02 5.32 -2.019240695e-02 -2.019240695e-02 5.34 -1.942569171e-02 -1.942569171e-02 5.36 -1.868178638e-02 -1.868178638e-02 5.38 -1.796032391e-02 -1.796032391e-02 5.40 -1.726110105e-02 -1.726110105e-02 5.42 -1.658402550e-02 -1.658402550e-02 5.44 -1.592909339e-02 -1.592909339e-02 5.46 -1.529636004e-02 -1.529636004e-02 5.48 -1.468590569e-02 -1.468590569e-02 5.50 -1.409779847e-02 -1.409779847e-02 5.52 -1.353205766e-02 -1.353205766e-02 5.54 -1.298862040e-02 -1.298862040e-02 5.56 -1.246731477e-02 -1.246731477e-02 5.58 -1.196784129e-02 -1.196784129e-02 5.60 -1.148976416e-02 -1.148976416e-02 5.62 -1.103251208e-02 -1.103251208e-02 5.64 -1.059538774e-02 -1.059538774e-02 5.66 -1.017758400e-02 -1.017758400e-02 5.68 -9.778204742e-03 -9.778204742e-03 5.70 -9.396287871e-03 -9.396287871e-03 5.72 -9.030828499e-03 -9.030828499e-03 5.74 -8.680800630e-03 -8.680800630e-03 5.76 -8.345176218e-03 -8.345176218e-03 5.78 -8.022940979e-03 -8.022940979e-03 5.80 -7.713106784e-03 -7.713106784e-03 5.82 -7.414720805e-03 -7.414720805e-03 5.84 -7.126871805e-03 -7.126871805e-03 5.86 -6.848694104e-03 -6.848694104e-03 5.88 -6.579369808e-03 -6.579369808e-03 5.90 -6.318129855e-03 -6.318129855e-03 5.92 -6.064254430e-03 -6.064254430e-03 5.94 -5.817073184e-03 -5.817073184e-03 5.96 -5.575965658e-03 -5.575965658e-03 5.98 -5.340362201e-03 -5.340362201e-03 6.00 -5.109745600e-03 -5.109745600e-03