# 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 = AgAu2Mo # 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 3.468508443e+02 3.468508443e+02 1.30 3.216652141e+02 3.216652141e+02 1.32 2.983251181e+02 2.983251181e+02 1.34 2.766841840e+02 2.766841840e+02 1.36 2.566120637e+02 2.566120637e+02 1.38 2.379913188e+02 2.379913188e+02 1.40 2.207142221e+02 2.207142221e+02 1.42 2.046801633e+02 2.046801633e+02 1.44 1.897944310e+02 1.897944310e+02 1.46 1.759681881e+02 1.759681881e+02 1.48 1.631188402e+02 1.631188402e+02 1.50 1.511703049e+02 1.511703049e+02 1.52 1.400530553e+02 1.400530553e+02 1.54 1.297038464e+02 1.297038464e+02 1.56 1.200651009e+02 1.200651009e+02 1.58 1.110841155e+02 1.110841155e+02 1.60 1.027123196e+02 1.027123196e+02 1.62 9.490471457e+01 9.490471457e+01 1.64 8.761950368e+01 8.761950368e+01 1.66 8.081789449e+01 8.081789449e+01 1.68 7.446406312e+01 7.446406312e+01 1.70 6.852524125e+01 6.852524125e+01 1.72 6.297185236e+01 6.297185236e+01 1.74 5.777759805e+01 5.777759805e+01 1.76 5.292281982e+01 5.292281982e+01 1.78 4.841242481e+01 4.841242481e+01 1.80 4.423171693e+01 4.423171693e+01 1.82 4.036104818e+01 4.036104818e+01 1.84 3.678085768e+01 3.678085768e+01 1.86 3.347204590e+01 3.347204590e+01 1.88 3.041599164e+01 3.041599164e+01 1.90 2.759472121e+01 2.759472121e+01 1.92 2.499109706e+01 2.499109706e+01 1.94 2.258893671e+01 2.258893671e+01 1.96 2.037304248e+01 2.037304248e+01 1.98 1.832917764e+01 1.832917764e+01 2.00 1.644403569e+01 1.644403569e+01 2.02 1.470522112e+01 1.470522112e+01 2.04 1.310122961e+01 1.310122961e+01 2.06 1.162141179e+01 1.162141179e+01 2.08 1.025592200e+01 1.025592200e+01 2.10 8.995667421e+00 8.995667421e+00 2.12 7.832271428e+00 7.832271428e+00 2.14 6.758053111e+00 6.758053111e+00 2.16 5.766013650e+00 5.766013650e+00 2.18 4.849816762e+00 4.849816762e+00 2.20 4.003754805e+00 4.003754805e+00 2.22 3.222699255e+00 3.222699255e+00 2.24 2.502039737e+00 2.502039737e+00 2.26 1.837617927e+00 1.837617927e+00 2.28 1.225662315e+00 1.225662315e+00 2.30 6.627283797e-01 6.627283797e-01 2.32 1.456468015e-01 1.456468015e-01 2.34 -3.285193822e-01 -3.285193822e-01 2.36 -7.625090456e-01 -7.625090456e-01 2.38 -1.158889676e+00 -1.158889676e+00 2.40 -1.520077809e+00 -1.520077809e+00 2.42 -1.848354639e+00 -1.848354639e+00 2.44 -2.145878343e+00 -2.145878343e+00 2.46 -2.414694524e+00 -2.414694524e+00 2.48 -2.656736481e+00 -2.656736481e+00 2.50 -2.873718153e+00 -2.873718153e+00 2.52 -3.067484098e+00 -3.067484098e+00 2.54 -3.239861612e+00 -3.239861612e+00 2.56 -3.392580135e+00 -3.392580135e+00 2.58 -3.527276338e+00 -3.527276338e+00 2.60 -3.645493141e+00 -3.645493141e+00 2.62 -3.748671838e+00 -3.748671838e+00 2.64 -3.838126739e+00 -3.838126739e+00 2.66 -3.914886307e+00 -3.914886307e+00 2.68 -3.979778780e+00 -3.979778780e+00 2.70 -4.033562126e+00 -4.033562126e+00 2.72 -4.076925611e+00 -4.076925611e+00 2.74 -4.110496108e+00 -4.110496108e+00 2.76 -4.134924515e+00 -4.134924515e+00 2.78 -4.150809562e+00 -4.150809562e+00 2.80 -4.158507966e+00 -4.158507966e+00 2.82 -4.158381613e+00 -4.158381613e+00 2.84 -4.150802160e+00 -4.150802160e+00 2.86 -4.136149097e+00 -4.136149097e+00 2.88 -4.114808335e+00 -4.114808335e+00 2.90 -4.087171984e+00 -4.087171984e+00 2.92 -4.053769807e+00 -4.053769807e+00 2.94 -4.014929166e+00 -4.014929166e+00 2.96 -3.970822000e+00 -3.970822000e+00 2.98 -3.921683359e+00 -3.921683359e+00 3.00 -3.867810233e+00 -3.867810233e+00 3.02 -3.809556590e+00 -3.809556590e+00 3.04 -3.747333206e+00 -3.747333206e+00 3.06 -3.681596559e+00 -3.681596559e+00 3.08 -3.612808276e+00 -3.612808276e+00 3.10 -3.541412851e+00 -3.541412851e+00 3.12 -3.467819349e+00 -3.467819349e+00 3.14 -3.392387601e+00 -3.392387601e+00 3.16 -3.315420831e+00 -3.315420831e+00 3.18 -3.237165288e+00 -3.237165288e+00 3.20 -3.157816033e+00 -3.157816033e+00 3.22 -3.077527168e+00 -3.077527168e+00 3.24 -2.996424530e+00 -2.996424530e+00 3.26 -2.914619080e+00 -2.914619080e+00 3.28 -2.832219704e+00 -2.832219704e+00 3.30 -2.749344548e+00 -2.749344548e+00 3.32 -2.666130335e+00 -2.666130335e+00 3.34 -2.582739251e+00 -2.582739251e+00 3.36 -2.499363081e+00 -2.499363081e+00 3.38 -2.416224288e+00 -2.416224288e+00 3.40 -2.333573896e+00 -2.333573896e+00 3.42 -2.251686193e+00 -2.251686193e+00 3.44 -2.170850592e+00 -2.170850592e+00 3.46 -2.091361289e+00 -2.091361289e+00 3.48 -2.013505668e+00 -2.013505668e+00 3.50 -1.937552567e+00 -1.937552567e+00 3.52 -1.863741540e+00 -1.863741540e+00 3.54 -1.792274143e+00 -1.792274143e+00 3.56 -1.723307909e+00 -1.723307909e+00 3.58 -1.656953368e+00 -1.656953368e+00 3.60 -1.593274046e+00 -1.593274046e+00 3.62 -1.532289051e+00 -1.532289051e+00 3.64 -1.473977678e+00 -1.473977678e+00 3.66 -1.418285319e+00 -1.418285319e+00 3.68 -1.365130025e+00 -1.365130025e+00 3.70 -1.314409126e+00 -1.314409126e+00 3.72 -1.266005480e+00 -1.266005480e+00 3.74 -1.219793043e+00 -1.219793043e+00 3.76 -1.175641611e+00 -1.175641611e+00 3.78 -1.133420678e+00 -1.133420678e+00 3.80 -1.093002434e+00 -1.093002434e+00 3.82 -1.054263979e+00 -1.054263979e+00 3.84 -1.017088845e+00 -1.017088845e+00 3.86 -9.813679413e-01 -9.813679413e-01 3.88 -9.470000157e-01 -9.470000157e-01 3.90 -9.138917438e-01 -9.138917438e-01 3.92 -8.819575240e-01 -8.819575240e-01 3.94 -8.511190751e-01 -8.511190751e-01 3.96 -8.213048948e-01 -8.213048948e-01 3.98 -7.924496691e-01 -7.924496691e-01 4.00 -7.644936788e-01 -7.644936788e-01 4.02 -7.373822632e-01 -7.373822632e-01 4.04 -7.110653840e-01 -7.110653840e-01 4.06 -6.854973234e-01 -6.854973234e-01 4.08 -6.606365408e-01 -6.606365408e-01 4.10 -6.364456922e-01 -6.364456922e-01 4.12 -6.128918246e-01 -6.128918246e-01 4.14 -5.899466782e-01 -5.899466782e-01 4.16 -5.675871116e-01 -5.675871116e-01 4.18 -5.457955397e-01 -5.457955397e-01 4.20 -5.245603171e-01 -5.245603171e-01 4.22 -5.038759625e-01 -5.038759625e-01 4.24 -4.837431189e-01 -4.837431189e-01 4.26 -4.641681516e-01 -4.641681516e-01 4.28 -4.451623199e-01 -4.451623199e-01 4.30 -4.267405036e-01 -4.267405036e-01 4.32 -4.089195350e-01 -4.089195350e-01 4.34 -3.917162540e-01 -3.917162540e-01 4.36 -3.751454619e-01 -3.751454619e-01 4.38 -3.592179835e-01 -3.592179835e-01 4.40 -3.439390425e-01 -3.439390425e-01 4.42 -3.293071128e-01 -3.293071128e-01 4.44 -3.153133407e-01 -3.153133407e-01 4.46 -3.019415502e-01 -3.019415502e-01 4.48 -2.891687659e-01 -2.891687659e-01 4.50 -2.769661371e-01 -2.769661371e-01 4.52 -2.653001143e-01 -2.653001143e-01 4.54 -2.541337351e-01 -2.541337351e-01 4.56 -2.434278952e-01 -2.434278952e-01 4.58 -2.331425161e-01 -2.331425161e-01 4.60 -2.232375583e-01 -2.232375583e-01 4.62 -2.136738618e-01 -2.136738618e-01 4.64 -2.044138226e-01 -2.044138226e-01 4.66 -1.954219306e-01 -1.954219306e-01 4.68 -1.866652032e-01 -1.866652032e-01 4.70 -1.781135509e-01 -1.781135509e-01 4.72 -1.697401068e-01 -1.697401068e-01 4.74 -1.615215456e-01 -1.615215456e-01 4.76 -1.534384067e-01 -1.534384067e-01 4.78 -1.454754244e-01 -1.454754244e-01 4.80 -1.376218545e-01 -1.376218545e-01 4.82 -1.298717836e-01 -1.298717836e-01 4.84 -1.222243632e-01 -1.222243632e-01 4.86 -1.146839569e-01 -1.146839569e-01 4.88 -1.072601289e-01 -1.072601289e-01 4.90 -9.996743349e-02 -9.996743349e-02 4.92 -9.282496825e-02 -9.282496825e-02 4.94 -8.585566742e-02 -8.585566742e-02 4.96 -7.908533868e-02 -7.908533868e-02 4.98 -7.254147819e-02 -7.254147819e-02 5.00 -6.625192585e-02 -6.625192585e-02 5.02 -6.024345034e-02 -6.024345034e-02 5.04 -5.454037310e-02 -5.454037310e-02 5.06 -4.916333793e-02 -4.916333793e-02 5.08 -4.412822345e-02 -4.412822345e-02 5.10 -3.944543720e-02 -3.944543720e-02 5.12 -3.512007533e-02 -3.512007533e-02 5.14 -3.115155467e-02 -3.115155467e-02 5.16 -2.753392734e-02 -2.753392734e-02 5.18 -2.425647176e-02 -2.425647176e-02 5.20 -2.130442639e-02 -2.130442639e-02 5.22 -1.865948110e-02 -1.865948110e-02 5.24 -1.630168584e-02 -1.630168584e-02 5.26 -1.420975661e-02 -1.420975661e-02 5.28 -1.236162305e-02 -1.236162305e-02 5.30 -1.073512516e-02 -1.073512516e-02 5.32 -9.308572903e-03 -9.308572903e-03 5.34 -8.061171266e-03 -8.061171266e-03 5.36 -6.973321753e-03 -6.973321753e-03 5.38 -6.026816436e-03 -6.026816436e-03 5.40 -5.204942854e-03 -5.204942854e-03 5.42 -4.492518146e-03 -4.492518146e-03 5.44 -3.875869515e-03 -3.875869515e-03 5.46 -3.342776017e-03 -3.342776017e-03 5.48 -2.882384289e-03 -2.882384289e-03 5.50 -2.485108332e-03 -2.485108332e-03 5.52 -2.142521245e-03 -2.142521245e-03 5.54 -1.847244786e-03 -1.847244786e-03 5.56 -1.592840978e-03 -1.592840978e-03 5.58 -1.373708636e-03 -1.373708636e-03 5.60 -1.184986621e-03 -1.184986621e-03 5.62 -1.022464838e-03 -1.022464838e-03 5.64 -8.825033941e-04 -8.825033941e-04 5.66 -7.619599385e-04 -7.619599385e-04 5.68 -6.581248856e-04 -6.581248856e-04 5.70 -5.686640821e-04 -5.686640821e-04 5.72 -4.915683453e-04 -4.915683453e-04 5.74 -4.251092650e-04 -4.251092650e-04 5.76 -3.678006442e-04 -3.678006442e-04 5.78 -3.183649726e-04 -3.183649726e-04 5.80 -2.757043566e-04 -2.757043566e-04 5.82 -2.388753735e-04 -2.388753735e-04 5.84 -2.070673591e-04 -2.070673591e-04 5.86 -1.795836936e-04 -1.795836936e-04 5.88 -1.558256894e-04 -1.558256894e-04 5.90 -1.352787365e-04 -1.352787365e-04 5.92 -1.175003977e-04 -1.175003977e-04 5.94 -1.021101863e-04 -1.021101863e-04 5.96 -8.878079400e-05 -8.878079400e-05 5.98 -7.723056460e-05 -7.723056460e-05 6.00 -6.721703944e-05 -6.721703944e-05