# 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 = FeMoPb2 # 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 3.776667046e+02 3.776667046e+02 1.30 3.515186963e+02 3.515186963e+02 1.32 3.272414708e+02 3.272414708e+02 1.34 3.046882247e+02 3.046882247e+02 1.36 2.837270600e+02 2.837270600e+02 1.38 2.642384431e+02 2.642384431e+02 1.40 2.461130519e+02 2.461130519e+02 1.42 2.292499901e+02 2.292499901e+02 1.44 2.135554241e+02 2.135554241e+02 1.46 1.989417766e+02 1.989417766e+02 1.48 1.853274658e+02 1.853274658e+02 1.50 1.726369614e+02 1.726369614e+02 1.52 1.608008009e+02 1.608008009e+02 1.54 1.497553987e+02 1.497553987e+02 1.56 1.394425325e+02 1.394425325e+02 1.58 1.298087337e+02 1.298087337e+02 1.60 1.208047035e+02 1.208047035e+02 1.62 1.123849256e+02 1.123849256e+02 1.64 1.045074402e+02 1.045074402e+02 1.66 9.713382223e+01 9.713382223e+01 1.68 9.022922180e+01 9.022922180e+01 1.70 8.376232394e+01 8.376232394e+01 1.72 7.770608628e+01 7.770608628e+01 1.74 7.203734344e+01 7.203734344e+01 1.76 6.673726905e+01 6.673726905e+01 1.78 6.179830113e+01 6.179830113e+01 1.80 5.720069582e+01 5.720069582e+01 1.82 5.292427769e+01 5.292427769e+01 1.84 4.894937323e+01 4.894937323e+01 1.86 4.525663785e+01 4.525663785e+01 1.88 4.182707185e+01 4.182707185e+01 1.90 3.864215948e+01 3.864215948e+01 1.92 3.568405456e+01 3.568405456e+01 1.94 3.293578834e+01 3.293578834e+01 1.96 3.038139914e+01 3.038139914e+01 1.98 2.800600333e+01 2.800600333e+01 2.00 2.579579856e+01 2.579579856e+01 2.02 2.373803179e+01 2.373803179e+01 2.04 2.182095352e+01 2.182095352e+01 2.06 2.003377542e+01 2.003377542e+01 2.08 1.836663571e+01 1.836663571e+01 2.10 1.681055287e+01 1.681055287e+01 2.12 1.535738238e+01 1.535738238e+01 2.14 1.399975224e+01 1.399975224e+01 2.16 1.273099590e+01 1.273099590e+01 2.18 1.154508240e+01 1.154508240e+01 2.20 1.043654088e+01 1.043654088e+01 2.22 9.400391745e+00 9.400391745e+00 2.24 8.432081289e+00 8.432081289e+00 2.26 7.527424846e+00 7.527424846e+00 2.28 6.682561103e+00 6.682561103e+00 2.30 5.893909850e+00 5.893909850e+00 2.32 5.158132919e+00 5.158132919e+00 2.34 4.472113627e+00 4.472113627e+00 2.36 3.832921254e+00 3.832921254e+00 2.38 3.237789706e+00 3.237789706e+00 2.40 2.684099573e+00 2.684099573e+00 2.42 2.169368408e+00 2.169368408e+00 2.44 1.691248676e+00 1.691248676e+00 2.46 1.247639461e+00 1.247639461e+00 2.48 8.364486405e-01 8.364486405e-01 2.50 4.556248435e-01 4.556248435e-01 2.52 1.032744126e-01 1.032744126e-01 2.54 -2.223554036e-01 -2.223554036e-01 2.56 -5.228947960e-01 -5.228947960e-01 2.58 -7.998683289e-01 -7.998683289e-01 2.60 -1.054708832e+00 -1.054708832e+00 2.62 -1.288743641e+00 -1.288743641e+00 2.64 -1.503081787e+00 -1.503081787e+00 2.66 -1.698732156e+00 -1.698732156e+00 2.68 -1.876680919e+00 -1.876680919e+00 2.70 -2.037888937e+00 -2.037888937e+00 2.72 -2.183291465e+00 -2.183291465e+00 2.74 -2.313798787e+00 -2.313798787e+00 2.76 -2.430297600e+00 -2.430297600e+00 2.78 -2.533653021e+00 -2.533653021e+00 2.80 -2.624714338e+00 -2.624714338e+00 2.82 -2.704303491e+00 -2.704303491e+00 2.84 -2.773223324e+00 -2.773223324e+00 2.86 -2.832257944e+00 -2.832257944e+00 2.88 -2.882169150e+00 -2.882169150e+00 2.90 -2.923691438e+00 -2.923691438e+00 2.92 -2.957525746e+00 -2.957525746e+00 2.94 -2.984252115e+00 -2.984252115e+00 2.96 -3.004242262e+00 -3.004242262e+00 2.98 -3.017845438e+00 -3.017845438e+00 3.00 -3.025415623e+00 -3.025415623e+00 3.02 -3.027309371e+00 -3.027309371e+00 3.04 -3.023881894e+00 -3.023881894e+00 3.06 -3.015485106e+00 -3.015485106e+00 3.08 -3.002459201e+00 -3.002459201e+00 3.10 -2.985131190e+00 -2.985131190e+00 3.12 -2.963809729e+00 -2.963809729e+00 3.14 -2.938789653e+00 -2.938789653e+00 3.16 -2.910341477e+00 -2.910341477e+00 3.18 -2.878718159e+00 -2.878718159e+00 3.20 -2.844242132e+00 -2.844242132e+00 3.22 -2.807092825e+00 -2.807092825e+00 3.24 -2.767306276e+00 -2.767306276e+00 3.26 -2.724928578e+00 -2.724928578e+00 3.28 -2.680018578e+00 -2.680018578e+00 3.30 -2.632652188e+00 -2.632652188e+00 3.32 -2.582890631e+00 -2.582890631e+00 3.34 -2.530771114e+00 -2.530771114e+00 3.36 -2.476381473e+00 -2.476381473e+00 3.38 -2.419870723e+00 -2.419870723e+00 3.40 -2.361449373e+00 -2.361449373e+00 3.42 -2.301387279e+00 -2.301387279e+00 3.44 -2.240003591e+00 -2.240003591e+00 3.46 -2.177656662e+00 -2.177656662e+00 3.48 -2.114729102e+00 -2.114729102e+00 3.50 -2.051611600e+00 -2.051611600e+00 3.52 -1.988686605e+00 -1.988686605e+00 3.54 -1.926313355e+00 -1.926313355e+00 3.56 -1.864815552e+00 -1.864815552e+00 3.58 -1.804472592e+00 -1.804472592e+00 3.60 -1.745514754e+00 -1.745514754e+00 3.62 -1.688122233e+00 -1.688122233e+00 3.64 -1.632427464e+00 -1.632427464e+00 3.66 -1.578519861e+00 -1.578519861e+00 3.68 -1.526451981e+00 -1.526451981e+00 3.70 -1.476246113e+00 -1.476246113e+00 3.72 -1.427900510e+00 -1.427900510e+00 3.74 -1.381394719e+00 -1.381394719e+00 3.76 -1.336693762e+00 -1.336693762e+00 3.78 -1.293751251e+00 -1.293751251e+00 3.80 -1.252511643e+00 -1.252511643e+00 3.82 -1.212912011e+00 -1.212912011e+00 3.84 -1.174883616e+00 -1.174883616e+00 3.86 -1.138353491e+00 -1.138353491e+00 3.88 -1.103246112e+00 -1.103246112e+00 3.90 -1.069485106e+00 -1.069485106e+00 3.92 -1.036993971e+00 -1.036993971e+00 3.94 -1.005701377e+00 -1.005701377e+00 3.96 -9.755362515e-01 -9.755362515e-01 3.98 -9.464328794e-01 -9.464328794e-01 4.00 -9.183302694e-01 -9.183302694e-01 4.02 -8.911723540e-01 -8.911723540e-01 4.04 -8.649079547e-01 -8.649079547e-01 4.06 -8.394905726e-01 -8.394905726e-01 4.08 -8.148780650e-01 -8.148780650e-01 4.10 -7.910297213e-01 -7.910297213e-01 4.12 -7.679164619e-01 -7.679164619e-01 4.14 -7.455037397e-01 -7.455037397e-01 4.16 -7.237628717e-01 -7.237628717e-01 4.18 -7.026675828e-01 -7.026675828e-01 4.20 -6.821936896e-01 -6.821936896e-01 4.22 -6.623188218e-01 -6.623188218e-01 4.24 -6.430221804e-01 -6.430221804e-01 4.26 -6.242843290e-01 -6.242843290e-01 4.28 -6.060870159e-01 -6.060870159e-01 4.30 -5.884130228e-01 -5.884130228e-01 4.32 -5.712460358e-01 -5.712460358e-01 4.34 -5.545705366e-01 -5.545705366e-01 4.36 -5.383717107e-01 -5.383717107e-01 4.38 -5.226353685e-01 -5.226353685e-01 4.40 -5.073478796e-01 -5.073478796e-01 4.42 -4.924961158e-01 -4.924961158e-01 4.44 -4.780674028e-01 -4.780674028e-01 4.46 -4.640494789e-01 -4.640494789e-01 4.48 -4.504304584e-01 -4.504304584e-01 4.50 -4.371988010e-01 -4.371988010e-01 4.52 -4.243432836e-01 -4.243432836e-01 4.54 -4.118529762e-01 -4.118529762e-01 4.56 -3.997172201e-01 -3.997172201e-01 4.58 -3.879256080e-01 -3.879256080e-01 4.60 -3.764679660e-01 -3.764679660e-01 4.62 -3.653343373e-01 -3.653343373e-01 4.64 -3.545149670e-01 -3.545149670e-01 4.66 -3.440002877e-01 -3.440002877e-01 4.68 -3.337809067e-01 -3.337809067e-01 4.70 -3.238475943e-01 -3.238475943e-01 4.72 -3.141912726e-01 -3.141912726e-01 4.74 -3.048030064e-01 -3.048030064e-01 4.76 -2.956739948e-01 -2.956739948e-01 4.78 -2.867955657e-01 -2.867955657e-01 4.80 -2.781576145e-01 -2.781576145e-01 4.82 -2.697550783e-01 -2.697550783e-01 4.84 -2.615778127e-01 -2.615778127e-01 4.86 -2.536176573e-01 -2.536176573e-01 4.88 -2.458665931e-01 -2.458665931e-01 4.90 -2.383167587e-01 -2.383167587e-01 4.92 -2.309604743e-01 -2.309604743e-01 4.94 -2.237902726e-01 -2.237902726e-01 4.96 -2.167989377e-01 -2.167989377e-01 4.98 -2.099795526e-01 -2.099795526e-01 5.00 -2.033255553e-01 -2.033255553e-01 5.02 -1.968308037e-01 -1.968308037e-01 5.04 -1.904896468e-01 -1.904896468e-01 5.06 -1.842970026e-01 -1.842970026e-01 5.08 -1.782484337e-01 -1.782484337e-01 5.10 -1.723402221e-01 -1.723402221e-01 5.12 -1.665694341e-01 -1.665694341e-01 5.14 -1.609339679e-01 -1.609339679e-01 5.16 -1.554325776e-01 -1.554325776e-01 5.18 -1.500648646e-01 -1.500648646e-01 5.20 -1.448312308e-01 -1.448312308e-01 5.22 -1.397327877e-01 -1.397327877e-01 5.24 -1.347712222e-01 -1.347712222e-01 5.26 -1.299485277e-01 -1.299485277e-01 5.28 -1.252664409e-01 -1.252664409e-01 5.30 -1.207273284e-01 -1.207273284e-01 5.32 -1.163333715e-01 -1.163333715e-01 5.34 -1.120861965e-01 -1.120861965e-01 5.36 -1.079866718e-01 -1.079866718e-01 5.38 -1.040347496e-01 -1.040347496e-01 5.40 -1.002293627e-01 -1.002293627e-01 5.42 -9.656837941e-02 -9.656837941e-02 5.44 -9.304861757e-02 -9.304861757e-02 5.46 -8.966590941e-02 -8.966590941e-02 5.48 -8.641520841e-02 -8.641520841e-02 5.50 -8.329072541e-02 -8.329072541e-02 5.52 -8.028608133e-02 -8.028608133e-02 5.54 -7.739446496e-02 -7.739446496e-02 5.56 -7.460878614e-02 -7.460878614e-02 5.58 -7.192181708e-02 -7.192181708e-02 5.60 -6.932631762e-02 -6.932631762e-02 5.62 -6.681514202e-02 -6.681514202e-02 5.64 -6.438132762e-02 -6.438132762e-02 5.66 -6.201816651e-02 -6.201816651e-02 5.68 -5.971926289e-02 -5.971926289e-02 5.70 -5.747857893e-02 -5.747857893e-02 5.72 -5.529047236e-02 -5.529047236e-02 5.74 -5.314972864e-02 -5.314972864e-02 5.76 -5.105159029e-02 -5.105159029e-02 5.78 -4.899178530e-02 -4.899178530e-02 5.80 -4.696655703e-02 -4.696655703e-02 5.82 -4.497269435e-02 -4.497269435e-02 5.84 -4.300756309e-02 -4.300756309e-02 5.86 -4.106913797e-02 -4.106913797e-02 5.88 -3.915603289e-02 -3.915603289e-02 5.90 -3.726752743e-02 -3.726752743e-02 5.92 -3.540358631e-02 -3.540358631e-02 5.94 -3.356486863e-02 -3.356486863e-02 5.96 -3.175272306e-02 -3.175272306e-02 5.98 -2.996916314e-02 -2.996916314e-02 6.00 -2.821682517e-02 -2.821682517e-02