# 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 = AuFe2Mg # 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 3.022560975e+02 3.022560975e+02 1.30 2.778525576e+02 2.778525576e+02 1.32 2.554016203e+02 2.554016203e+02 1.34 2.347385095e+02 2.347385095e+02 1.36 2.157150861e+02 2.157150861e+02 1.38 1.981974338e+02 1.981974338e+02 1.40 1.820634258e+02 1.820634258e+02 1.42 1.672008307e+02 1.672008307e+02 1.44 1.535062383e+02 1.535062383e+02 1.46 1.408847088e+02 1.408847088e+02 1.48 1.292497134e+02 1.292497134e+02 1.50 1.185228305e+02 1.185228305e+02 1.52 1.086328677e+02 1.086328677e+02 1.54 9.951457708e+01 9.951457708e+01 1.56 9.110744756e+01 9.110744756e+01 1.58 8.335497306e+01 8.335497306e+01 1.60 7.620441847e+01 7.620441847e+01 1.62 6.960686904e+01 6.960686904e+01 1.64 6.351947171e+01 6.351947171e+01 1.66 5.791482055e+01 5.791482055e+01 1.68 5.275684245e+01 5.275684245e+01 1.70 4.801051704e+01 4.801051704e+01 1.72 4.364440596e+01 4.364440596e+01 1.74 3.962988172e+01 3.962988172e+01 1.76 3.594054395e+01 3.594054395e+01 1.78 3.255176167e+01 3.255176167e+01 1.80 2.944040699e+01 2.944040699e+01 1.82 2.658476329e+01 2.658476329e+01 1.84 2.396452779e+01 2.396452779e+01 1.86 2.156083479e+01 2.156083479e+01 1.88 1.935623426e+01 1.935623426e+01 1.90 1.733461218e+01 1.733461218e+01 1.92 1.548106283e+01 1.548106283e+01 1.94 1.378175571e+01 1.378175571e+01 1.96 1.222382902e+01 1.222382902e+01 1.98 1.079533480e+01 1.079533480e+01 2.00 9.485229147e+00 9.485229147e+00 2.02 8.283386035e+00 8.283386035e+00 2.04 7.180610849e+00 7.180610849e+00 2.06 6.168631073e+00 6.168631073e+00 2.08 5.240051357e+00 5.240051357e+00 2.10 4.388272377e+00 4.388272377e+00 2.12 3.607387985e+00 3.607387985e+00 2.14 2.892074737e+00 2.892074737e+00 2.16 2.237489855e+00 2.237489855e+00 2.18 1.639184578e+00 1.639184578e+00 2.20 1.093038401e+00 1.093038401e+00 2.22 5.952124081e-01 5.952124081e-01 2.24 1.421213496e-01 1.421213496e-01 2.26 -2.695811562e-01 -2.695811562e-01 2.28 -6.430103595e-01 -6.430103595e-01 2.30 -9.810563570e-01 -9.810563570e-01 2.32 -1.286393500e+00 -1.286393500e+00 2.34 -1.561490790e+00 -1.561490790e+00 2.36 -1.808627530e+00 -1.808627530e+00 2.38 -2.029909401e+00 -2.029909401e+00 2.40 -2.227285790e+00 -2.227285790e+00 2.42 -2.402567893e+00 -2.402567893e+00 2.44 -2.557445681e+00 -2.557445681e+00 2.46 -2.693504161e+00 -2.693504161e+00 2.48 -2.812236414e+00 -2.812236414e+00 2.50 -2.915073618e+00 -2.915073618e+00 2.52 -3.003428515e+00 -3.003428515e+00 2.54 -3.078463719e+00 -3.078463719e+00 2.56 -3.141280653e+00 -3.141280653e+00 2.58 -3.192923488e+00 -3.192923488e+00 2.60 -3.234378158e+00 -3.234378158e+00 2.62 -3.266573623e+00 -3.266573623e+00 2.64 -3.290372025e+00 -3.290372025e+00 2.66 -3.306552360e+00 -3.306552360e+00 2.68 -3.315810166e+00 -3.315810166e+00 2.70 -3.318710487e+00 -3.318710487e+00 2.72 -3.315455764e+00 -3.315455764e+00 2.74 -3.306163501e+00 -3.306163501e+00 2.76 -3.290993097e+00 -3.290993097e+00 2.78 -3.270146800e+00 -3.270146800e+00 2.80 -3.243871592e+00 -3.243871592e+00 2.82 -3.212458627e+00 -3.212458627e+00 2.84 -3.176241439e+00 -3.176241439e+00 2.86 -3.135589893e+00 -3.135589893e+00 2.88 -3.090900714e+00 -3.090900714e+00 2.90 -3.042585322e+00 -3.042585322e+00 2.92 -2.991056587e+00 -2.991056587e+00 2.94 -2.936716452e+00 -2.936716452e+00 2.96 -2.879946076e+00 -2.879946076e+00 2.98 -2.821099453e+00 -2.821099453e+00 3.00 -2.760500523e+00 -2.760500523e+00 3.02 -2.698447289e+00 -2.698447289e+00 3.04 -2.635230562e+00 -2.635230562e+00 3.06 -2.571057554e+00 -2.571057554e+00 3.08 -2.506104989e+00 -2.506104989e+00 3.10 -2.440535331e+00 -2.440535331e+00 3.12 -2.374498745e+00 -2.374498745e+00 3.14 -2.308132027e+00 -2.308132027e+00 3.16 -2.241491190e+00 -2.241491190e+00 3.18 -2.174594138e+00 -2.174594138e+00 3.20 -2.107491104e+00 -2.107491104e+00 3.22 -2.040272883e+00 -2.040272883e+00 3.24 -1.973075646e+00 -1.973075646e+00 3.26 -1.906082092e+00 -1.906082092e+00 3.28 -1.839517845e+00 -1.839517845e+00 3.30 -1.773642750e+00 -1.773642750e+00 3.32 -1.708737656e+00 -1.708737656e+00 3.34 -1.645088139e+00 -1.645088139e+00 3.36 -1.582967260e+00 -1.582967260e+00 3.38 -1.522619648e+00 -1.522619648e+00 3.40 -1.464248796e+00 -1.464248796e+00 3.42 -1.408009188e+00 -1.408009188e+00 3.44 -1.354002674e+00 -1.354002674e+00 3.46 -1.302279998e+00 -1.302279998e+00 3.48 -1.252845485e+00 -1.252845485e+00 3.50 -1.205664119e+00 -1.205664119e+00 3.52 -1.160669734e+00 -1.160669734e+00 3.54 -1.117773335e+00 -1.117773335e+00 3.56 -1.076870809e+00 -1.076870809e+00 3.58 -1.037849572e+00 -1.037849572e+00 3.60 -1.000593973e+00 -1.000593973e+00 3.62 -9.649894231e-01 -9.649894231e-01 3.64 -9.309253595e-01 -9.309253595e-01 3.66 -8.982972203e-01 -8.982972203e-01 3.68 -8.670076259e-01 -8.670076259e-01 3.70 -8.369669576e-01 -8.369669576e-01 3.72 -8.080935036e-01 -8.080935036e-01 3.74 -7.803133085e-01 -7.803133085e-01 3.76 -7.535598290e-01 -7.535598290e-01 3.78 -7.277734637e-01 -7.277734637e-01 3.80 -7.029009943e-01 -7.029009943e-01 3.82 -6.788949535e-01 -6.788949535e-01 3.84 -6.557129263e-01 -6.557129263e-01 3.86 -6.333167873e-01 -6.333167873e-01 3.88 -6.116718964e-01 -6.116718964e-01 3.90 -5.907462900e-01 -5.907462900e-01 3.92 -5.705098184e-01 -5.705098184e-01 3.94 -5.509339512e-01 -5.509339512e-01 3.96 -5.319905918e-01 -5.319905918e-01 3.98 -5.136522973e-01 -5.136522973e-01 4.00 -4.958920504e-01 -4.958920504e-01 4.02 -4.786833274e-01 -4.786833274e-01 4.04 -4.620002863e-01 -4.620002863e-01 4.06 -4.458180307e-01 -4.458180307e-01 4.08 -4.301129156e-01 -4.301129156e-01 4.10 -4.148625261e-01 -4.148625261e-01 4.12 -4.000474432e-01 -4.000474432e-01 4.14 -3.856492744e-01 -3.856492744e-01 4.16 -3.716525556e-01 -3.716525556e-01 4.18 -3.580445667e-01 -3.580445667e-01 4.20 -3.448155093e-01 -3.448155093e-01 4.22 -3.319585803e-01 -3.319585803e-01 4.24 -3.194699074e-01 -3.194699074e-01 4.26 -3.073483115e-01 -3.073483115e-01 4.28 -2.955948778e-01 -2.955948778e-01 4.30 -2.842123365e-01 -2.842123365e-01 4.32 -2.732042832e-01 -2.732042832e-01 4.34 -2.625742967e-01 -2.625742967e-01 4.36 -2.523250379e-01 -2.523250379e-01 4.38 -2.424574231e-01 -2.424574231e-01 4.40 -2.329699332e-01 -2.329699332e-01 4.42 -2.238581737e-01 -2.238581737e-01 4.44 -2.151146840e-01 -2.151146840e-01 4.46 -2.067289922e-01 -2.067289922e-01 4.48 -1.986871223e-01 -1.986871223e-01 4.50 -1.909735195e-01 -1.909735195e-01 4.52 -1.835715979e-01 -1.835715979e-01 4.54 -1.764631888e-01 -1.764631888e-01 4.56 -1.696292071e-01 -1.696292071e-01 4.58 -1.630502290e-01 -1.630502290e-01 4.60 -1.567069681e-01 -1.567069681e-01 4.62 -1.505806510e-01 -1.505806510e-01 4.64 -1.446533049e-01 -1.446533049e-01 4.66 -1.389079760e-01 -1.389079760e-01 4.68 -1.333288973e-01 -1.333288973e-01 4.70 -1.279016247e-01 -1.279016247e-01 4.72 -1.226131585e-01 -1.226131585e-01 4.74 -1.174520591e-01 -1.174520591e-01 4.76 -1.124085650e-01 -1.124085650e-01 4.78 -1.074747137e-01 -1.074747137e-01 4.80 -1.026442537e-01 -1.026442537e-01 4.82 -9.791361426e-02 -9.791361426e-02 4.84 -9.328062324e-02 -9.328062324e-02 4.86 -8.874548823e-02 -8.874548823e-02 4.88 -8.431055736e-02 -8.431055736e-02 4.90 -7.998018489e-02 -7.998018489e-02 4.92 -7.576052319e-02 -7.576052319e-02 4.94 -7.165921362e-02 -7.165921362e-02 4.96 -6.768497810e-02 -6.768497810e-02 4.98 -6.384712736e-02 -6.384712736e-02 5.00 -6.015501397e-02 -6.015501397e-02 5.02 -5.661746790e-02 -5.661746790e-02 5.04 -5.324225791e-02 -5.324225791e-02 5.06 -5.003562153e-02 -5.003562153e-02 5.08 -4.700190029e-02 -4.700190029e-02 5.10 -4.414330528e-02 -4.414330528e-02 5.12 -4.145982393e-02 -4.145982393e-02 5.14 -3.894926395e-02 -3.894926395e-02 5.16 -3.660741723e-02 -3.660741723e-02 5.18 -3.442831812e-02 -3.442831812e-02 5.20 -3.240456217e-02 -3.240456217e-02 5.22 -3.052765790e-02 -3.052765790e-02 5.24 -2.878838142e-02 -2.878838142e-02 5.26 -2.717711068e-02 -2.717711068e-02 5.28 -2.568412367e-02 -2.568412367e-02 5.30 -2.429985064e-02 -2.429985064e-02 5.32 -2.301507608e-02 -2.301507608e-02 5.34 -2.182109052e-02 -2.182109052e-02 5.36 -2.070979497e-02 -2.070979497e-02 5.38 -1.967376287e-02 -1.967376287e-02 5.40 -1.870626530e-02 -1.870626530e-02 5.42 -1.780122800e-02 -1.780122800e-02 5.44 -1.695318995e-02 -1.695318995e-02 5.46 -1.615742404e-02 -1.615742404e-02 5.48 -1.540975164e-02 -1.540975164e-02 5.50 -1.470646830e-02 -1.470646830e-02 5.52 -1.404427463e-02 -1.404427463e-02 5.54 -1.342020888e-02 -1.342020888e-02 5.56 -1.283158509e-02 -1.283158509e-02 5.58 -1.227593959e-02 -1.227593959e-02 5.60 -1.175098739e-02 -1.175098739e-02 5.62 -1.125458886e-02 -1.125458886e-02 5.64 -1.078472605e-02 -1.078472605e-02 5.66 -1.033948735e-02 -1.033948735e-02 5.68 -9.917058563e-03 -9.917058563e-03 5.70 -9.515718535e-03 -9.515718535e-03 5.72 -9.133837553e-03 -9.133837553e-03 5.74 -8.769876969e-03 -8.769876969e-03 5.76 -8.422389001e-03 -8.422389001e-03 5.78 -8.090016007e-03 -8.090016007e-03 5.80 -7.771488890e-03 -7.771488890e-03 5.82 -7.465624564e-03 -7.465624564e-03 5.84 -7.171322614e-03 -7.171322614e-03 5.86 -6.887561406e-03 -6.887561406e-03 5.88 -6.613393937e-03 -6.613393937e-03 5.90 -6.347943770e-03 -6.347943770e-03 5.92 -6.090401334e-03 -6.090401334e-03 5.94 -5.840020870e-03 -5.840020870e-03 5.96 -5.596118236e-03 -5.596118236e-03 5.98 -5.358069734e-03 -5.358069734e-03 6.00 -5.125312068e-03 -5.125312068e-03