# 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 = AgAl2Fe # 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 1.362611552e+02 1.362611552e+02 1.30 1.259122479e+02 1.259122479e+02 1.32 1.163492705e+02 1.163492705e+02 1.34 1.075070708e+02 1.075070708e+02 1.36 9.932624442e+01 9.932624442e+01 1.38 9.175385742e+01 9.175385742e+01 1.40 8.474271731e+01 8.474271731e+01 1.42 7.824969765e+01 7.824969765e+01 1.44 7.223412334e+01 7.223412334e+01 1.46 6.665708904e+01 6.665708904e+01 1.48 6.148216011e+01 6.148216011e+01 1.50 5.667684357e+01 5.667684357e+01 1.52 5.221336899e+01 5.221336899e+01 1.54 4.806799053e+01 4.806799053e+01 1.56 4.421946966e+01 4.421946966e+01 1.58 4.064777420e+01 4.064777420e+01 1.60 3.733435085e+01 3.733435085e+01 1.62 3.426140135e+01 3.426140135e+01 1.64 3.141132419e+01 3.141132419e+01 1.66 2.876997965e+01 2.876997965e+01 1.68 2.632094475e+01 2.632094475e+01 1.70 2.404871879e+01 2.404871879e+01 1.72 2.193953990e+01 2.193953990e+01 1.74 1.998134084e+01 1.998134084e+01 1.76 1.816338817e+01 1.816338817e+01 1.78 1.647588461e+01 1.647588461e+01 1.80 1.490975739e+01 1.490975739e+01 1.82 1.345663507e+01 1.345663507e+01 1.84 1.210887607e+01 1.210887607e+01 1.86 1.085953236e+01 1.085953236e+01 1.88 9.702220541e+00 9.702220541e+00 1.90 8.630934064e+00 8.630934064e+00 1.92 7.639849189e+00 7.639849189e+00 1.94 6.723180651e+00 6.723180651e+00 1.96 5.875136634e+00 5.875136634e+00 1.98 5.089996604e+00 5.089996604e+00 2.00 4.362289808e+00 4.362289808e+00 2.02 3.687007621e+00 3.687007621e+00 2.04 3.059763714e+00 3.059763714e+00 2.06 2.476839527e+00 2.476839527e+00 2.08 1.935110302e+00 1.935110302e+00 2.10 1.431899718e+00 1.431899718e+00 2.12 9.648258361e-01 9.648258361e-01 2.14 5.316818004e-01 5.316818004e-01 2.16 1.303672326e-01 1.303672326e-01 2.18 -2.411337823e-01 -2.411337823e-01 2.20 -5.847426285e-01 -5.847426285e-01 2.22 -9.022623855e-01 -9.022623855e-01 2.24 -1.195356204e+00 -1.195356204e+00 2.26 -1.465536446e+00 -1.465536446e+00 2.28 -1.714165169e+00 -1.714165169e+00 2.30 -1.942461990e+00 -1.942461990e+00 2.32 -2.151515677e+00 -2.151515677e+00 2.34 -2.342297623e+00 -2.342297623e+00 2.36 -2.515677954e+00 -2.515677954e+00 2.38 -2.672445171e+00 -2.672445171e+00 2.40 -2.813329822e+00 -2.813329822e+00 2.42 -2.939031402e+00 -2.939031402e+00 2.44 -3.050246220e+00 -3.050246220e+00 2.46 -3.147693270e+00 -3.147693270e+00 2.48 -3.232135046e+00 -3.232135046e+00 2.50 -3.304391455e+00 -3.304391455e+00 2.52 -3.365346904e+00 -3.365346904e+00 2.54 -3.415951981e+00 -3.415951981e+00 2.56 -3.457220222e+00 -3.457220222e+00 2.58 -3.490217073e+00 -3.490217073e+00 2.60 -3.516036039e+00 -3.516036039e+00 2.62 -3.536348046e+00 -3.536348046e+00 2.64 -3.553127671e+00 -3.553127671e+00 2.66 -3.566662557e+00 -3.566662557e+00 2.68 -3.577137390e+00 -3.577137390e+00 2.70 -3.584654600e+00 -3.584654600e+00 2.72 -3.589225380e+00 -3.589225380e+00 2.74 -3.590807427e+00 -3.590807427e+00 2.76 -3.589382023e+00 -3.589382023e+00 2.78 -3.584712858e+00 -3.584712858e+00 2.80 -3.576533805e+00 -3.576533805e+00 2.82 -3.564641807e+00 -3.564641807e+00 2.84 -3.548898209e+00 -3.548898209e+00 2.86 -3.529222279e+00 -3.529222279e+00 2.88 -3.505584189e+00 -3.505584189e+00 2.90 -3.477999118e+00 -3.477999118e+00 2.92 -3.446527703e+00 -3.446527703e+00 2.94 -3.411272834e+00 -3.411272834e+00 2.96 -3.372377982e+00 -3.372377982e+00 2.98 -3.330033392e+00 -3.330033392e+00 3.00 -3.284483246e+00 -3.284483246e+00 3.02 -3.236030411e+00 -3.236030411e+00 3.04 -3.185035162e+00 -3.185035162e+00 3.06 -3.131905237e+00 -3.131905237e+00 3.08 -3.077076614e+00 -3.077076614e+00 3.10 -3.020987875e+00 -3.020987875e+00 3.12 -2.964053087e+00 -2.964053087e+00 3.14 -2.906639254e+00 -2.906639254e+00 3.16 -2.849052673e+00 -2.849052673e+00 3.18 -2.791536051e+00 -2.791536051e+00 3.20 -2.734274794e+00 -2.734274794e+00 3.22 -2.677409101e+00 -2.677409101e+00 3.24 -2.621047874e+00 -2.621047874e+00 3.26 -2.565281162e+00 -2.565281162e+00 3.28 -2.510189156e+00 -2.510189156e+00 3.30 -2.455847097e+00 -2.455847097e+00 3.32 -2.402326555e+00 -2.402326555e+00 3.34 -2.349694121e+00 -2.349694121e+00 3.36 -2.298008779e+00 -2.298008779e+00 3.38 -2.247319124e+00 -2.247319124e+00 3.40 -2.197661256e+00 -2.197661256e+00 3.42 -2.149057833e+00 -2.149057833e+00 3.44 -2.101518297e+00 -2.101518297e+00 3.46 -2.055040180e+00 -2.055040180e+00 3.48 -2.009611062e+00 -2.009611062e+00 3.50 -1.965210843e+00 -1.965210843e+00 3.52 -1.921813978e+00 -1.921813978e+00 3.54 -1.879391456e+00 -1.879391456e+00 3.56 -1.837912372e+00 -1.837912372e+00 3.58 -1.797345078e+00 -1.797345078e+00 3.60 -1.757657913e+00 -1.757657913e+00 3.62 -1.718819607e+00 -1.718819607e+00 3.64 -1.680799415e+00 -1.680799415e+00 3.66 -1.643567078e+00 -1.643567078e+00 3.68 -1.607092682e+00 -1.607092682e+00 3.70 -1.571346481e+00 -1.571346481e+00 3.72 -1.536298722e+00 -1.536298722e+00 3.74 -1.501919521e+00 -1.501919521e+00 3.76 -1.468178801e+00 -1.468178801e+00 3.78 -1.435046298e+00 -1.435046298e+00 3.80 -1.402491643e+00 -1.402491643e+00 3.82 -1.370484496e+00 -1.370484496e+00 3.84 -1.338994710e+00 -1.338994710e+00 3.86 -1.307992500e+00 -1.307992500e+00 3.88 -1.277448598e+00 -1.277448598e+00 3.90 -1.247334354e+00 -1.247334354e+00 3.92 -1.217621783e+00 -1.217621783e+00 3.94 -1.188283585e+00 -1.188283585e+00 3.96 -1.159293048e+00 -1.159293048e+00 3.98 -1.130624015e+00 -1.130624015e+00 4.00 -1.102250829e+00 -1.102250829e+00 4.02 -1.074148375e+00 -1.074148375e+00 4.04 -1.046292247e+00 -1.046292247e+00 4.06 -1.018659115e+00 -1.018659115e+00 4.08 -9.912273341e-01 -9.912273341e-01 4.10 -9.639778134e-01 -9.639778134e-01 4.12 -9.368952773e-01 -9.368952773e-01 4.14 -9.099695855e-01 -9.099695855e-01 4.16 -8.831974625e-01 -8.831974625e-01 4.18 -8.565841867e-01 -8.565841867e-01 4.20 -8.301451910e-01 -8.301451910e-01 4.22 -8.039073229e-01 -8.039073229e-01 4.24 -7.779095064e-01 -7.779095064e-01 4.26 -7.522025571e-01 -7.522025571e-01 4.28 -7.268479597e-01 -7.268479597e-01 4.30 -7.019155270e-01 -7.019155270e-01 4.32 -6.774800137e-01 -6.774800137e-01 4.34 -6.536169253e-01 -6.536169253e-01 4.36 -6.303979169e-01 -6.303979169e-01 4.38 -6.078862657e-01 -6.078862657e-01 4.40 -5.861329122e-01 -5.861329122e-01 4.42 -5.651734790e-01 -5.651734790e-01 4.44 -5.450265261e-01 -5.450265261e-01 4.46 -5.256931113e-01 -5.256931113e-01 4.48 -5.071575454e-01 -5.071575454e-01 4.50 -4.893891026e-01 -4.893891026e-01 4.52 -4.723443698e-01 -4.723443698e-01 4.54 -4.559699158e-01 -4.559699158e-01 4.56 -4.402050026e-01 -4.402050026e-01 4.58 -4.249841319e-01 -4.249841319e-01 4.60 -4.102393001e-01 -4.102393001e-01 4.62 -3.959019125e-01 -3.959019125e-01 4.64 -3.819043629e-01 -3.819043629e-01 4.66 -3.681813275e-01 -3.681813275e-01 4.68 -3.546708459e-01 -3.546708459e-01 4.70 -3.413152655e-01 -3.413152655e-01 4.72 -3.280621269e-01 -3.280621269e-01 4.74 -3.148650481e-01 -3.148650481e-01 4.76 -3.016846496e-01 -3.016846496e-01 4.78 -2.884895343e-01 -2.884895343e-01 4.80 -2.752572953e-01 -2.752572953e-01 4.82 -2.619755760e-01 -2.619755760e-01 4.84 -2.486429264e-01 -2.486429264e-01 4.86 -2.352695929e-01 -2.352695929e-01 4.88 -2.218779288e-01 -2.218779288e-01 4.90 -2.085023774e-01 -2.085023774e-01 4.92 -1.951888976e-01 -1.951888976e-01 4.94 -1.819937513e-01 -1.819937513e-01 4.96 -1.689816208e-01 -1.689816208e-01 4.98 -1.562231195e-01 -1.562231195e-01 5.00 -1.437918090e-01 -1.437918090e-01 5.02 -1.317609199e-01 -1.317609199e-01 5.04 -1.202000245e-01 -1.202000245e-01 5.06 -1.091719272e-01 -1.091719272e-01 5.08 -9.872995950e-02 -9.872995950e-02 5.10 -8.891581690e-02 -8.891581690e-02 5.12 -7.975905428e-02 -7.975905428e-02 5.14 -7.127625874e-02 -7.127625874e-02 5.16 -6.347133598e-02 -6.347133598e-02 5.18 -5.633651855e-02 -5.633651855e-02 5.20 -4.985384575e-02 -4.985384575e-02 5.22 -4.399693633e-02 -4.399693633e-02 5.24 -3.873288347e-02 -3.873288347e-02 5.26 -3.402412649e-02 -3.402412649e-02 5.28 -2.983018939e-02 -2.983018939e-02 5.30 -2.610920419e-02 -2.610920419e-02 5.32 -2.281919484e-02 -2.281919484e-02 5.34 -1.991909830e-02 -1.991909830e-02 5.36 -1.736952866e-02 -1.736952866e-02 5.38 -1.513280354e-02 -1.513280354e-02 5.40 -1.317443877e-02 -1.317443877e-02 5.42 -1.146301357e-02 -1.146301357e-02 5.44 -9.969731314e-03 -9.969731314e-03 5.46 -8.668468429e-03 -8.668468429e-03 5.48 -7.535723787e-03 -7.535723787e-03 5.50 -6.550501097e-03 -6.550501097e-03 5.52 -5.694149210e-03 -5.694149210e-03 5.54 -4.950179093e-03 -4.950179093e-03 5.56 -4.304071095e-03 -4.304071095e-03 5.58 -3.743082101e-03 -3.743082101e-03 5.60 -3.256059045e-03 -3.256059045e-03 5.62 -2.833262903e-03 -2.833262903e-03 5.64 -2.466205555e-03 -2.466205555e-03 5.66 -2.147500662e-03 -2.147500662e-03 5.68 -1.870728826e-03 -1.870728826e-03 5.70 -1.630316721e-03 -1.630316721e-03 5.72 -1.421429504e-03 -1.421429504e-03 5.74 -1.239875600e-03 -1.239875600e-03 5.76 -1.082022814e-03 -1.082022814e-03 5.78 -9.447247274e-04 -9.447247274e-04 5.80 -8.252563070e-04 -8.252563070e-04 5.82 -7.212577327e-04 -7.212577327e-04 5.84 -6.306854935e-04 -6.306854935e-04 5.86 -5.517698904e-04 -5.517698904e-04 5.88 -4.829781591e-04 -4.829781591e-04 5.90 -4.229825079e-04 -4.229825079e-04 5.92 -3.706324413e-04 -3.706324413e-04 5.94 -3.249308118e-04 -3.249308118e-04 5.96 -2.850131104e-04 -2.850131104e-04 5.98 -2.501295648e-04 -2.501295648e-04 6.00 -2.196296691e-04 -2.196296691e-04