# 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 = CuPb2Zr # 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 3.731268452e+02 3.731268452e+02 1.30 3.488090053e+02 3.488090053e+02 1.32 3.261843216e+02 3.261843216e+02 1.34 3.051222849e+02 3.051222849e+02 1.36 2.854997097e+02 2.854997097e+02 1.38 2.672021283e+02 2.672021283e+02 1.40 2.501254952e+02 2.501254952e+02 1.42 2.341769907e+02 2.341769907e+02 1.44 2.192742583e+02 2.192742583e+02 1.46 2.053431113e+02 2.053431113e+02 1.48 1.923150528e+02 1.923150528e+02 1.50 1.801260106e+02 1.801260106e+02 1.52 1.687162558e+02 1.687162558e+02 1.54 1.580305136e+02 1.580305136e+02 1.56 1.480178391e+02 1.480178391e+02 1.58 1.386312249e+02 1.386312249e+02 1.60 1.298273177e+02 1.298273177e+02 1.62 1.215663402e+02 1.215663402e+02 1.64 1.138120955e+02 1.138120955e+02 1.66 1.065317666e+02 1.065317666e+02 1.68 9.969550334e+01 9.969550334e+01 1.70 9.327585623e+01 9.327585623e+01 1.72 8.724717562e+01 8.724717562e+01 1.74 8.158515607e+01 8.158515607e+01 1.76 7.626663272e+01 7.626663272e+01 1.78 7.126971640e+01 7.126971640e+01 1.80 6.657394972e+01 6.657394972e+01 1.82 6.215955472e+01 6.215955472e+01 1.84 5.801112632e+01 5.801112632e+01 1.86 5.412062087e+01 5.412062087e+01 1.88 5.047177049e+01 5.047177049e+01 1.90 4.704890623e+01 4.704890623e+01 1.92 4.383744217e+01 4.383744217e+01 1.94 4.082369768e+01 4.082369768e+01 1.96 3.799487035e+01 3.799487035e+01 1.98 3.533904005e+01 3.533904005e+01 2.00 3.284516129e+01 3.284516129e+01 2.02 3.050301739e+01 3.050301739e+01 2.04 2.830315796e+01 2.830315796e+01 2.06 2.623684623e+01 2.623684623e+01 2.08 2.429601716e+01 2.429601716e+01 2.10 2.247324773e+01 2.247324773e+01 2.12 2.076168835e+01 2.076168835e+01 2.14 1.915498014e+01 1.915498014e+01 2.16 1.764715740e+01 1.764715740e+01 2.18 1.623256522e+01 1.623256522e+01 2.20 1.490581492e+01 1.490581492e+01 2.22 1.366176631e+01 1.366176631e+01 2.24 1.249553550e+01 1.249553550e+01 2.26 1.140251448e+01 1.140251448e+01 2.28 1.037837873e+01 1.037837873e+01 2.30 9.419097867e+00 9.419097867e+00 2.32 8.520903009e+00 8.520903009e+00 2.34 7.680241650e+00 7.680241650e+00 2.36 6.893730107e+00 6.893730107e+00 2.38 6.158113089e+00 6.158113089e+00 2.40 5.470244011e+00 5.470244011e+00 2.42 4.827083935e+00 4.827083935e+00 2.44 4.225723837e+00 4.225723837e+00 2.46 3.663412089e+00 3.663412089e+00 2.48 3.137586985e+00 3.137586985e+00 2.50 2.645899380e+00 2.645899380e+00 2.52 2.186217189e+00 2.186217189e+00 2.54 1.756609713e+00 1.756609713e+00 2.56 1.355292575e+00 1.355292575e+00 2.58 9.806098793e-01 9.806098793e-01 2.60 6.311068818e-01 6.311068818e-01 2.62 3.054046678e-01 3.054046678e-01 2.64 2.179400023e-03 2.179400023e-03 2.66 -2.798416699e-01 -2.798416699e-01 2.68 -5.418882253e-01 -5.418882253e-01 2.70 -7.851470241e-01 -7.851470241e-01 2.72 -1.010757002e+00 -1.010757002e+00 2.74 -1.219737144e+00 -1.219737144e+00 2.76 -1.412969137e+00 -1.412969137e+00 2.78 -1.591284922e+00 -1.591284922e+00 2.80 -1.755471246e+00 -1.755471246e+00 2.82 -1.906254965e+00 -1.906254965e+00 2.84 -2.044313619e+00 -2.044313619e+00 2.86 -2.170281122e+00 -2.170281122e+00 2.88 -2.284758096e+00 -2.284758096e+00 2.90 -2.388322180e+00 -2.388322180e+00 2.92 -2.481585093e+00 -2.481585093e+00 2.94 -2.565244470e+00 -2.565244470e+00 2.96 -2.639713544e+00 -2.639713544e+00 2.98 -2.705396644e+00 -2.705396644e+00 3.00 -2.762715373e+00 -2.762715373e+00 3.02 -2.812101541e+00 -2.812101541e+00 3.04 -2.853988806e+00 -2.853988806e+00 3.06 -2.888816866e+00 -2.888816866e+00 3.08 -2.917013656e+00 -2.917013656e+00 3.10 -2.939004187e+00 -2.939004187e+00 3.12 -2.955216065e+00 -2.955216065e+00 3.14 -2.966085169e+00 -2.966085169e+00 3.16 -2.972028233e+00 -2.972028233e+00 3.18 -2.973449480e+00 -2.973449480e+00 3.20 -2.970734803e+00 -2.970734803e+00 3.22 -2.964247831e+00 -2.964247831e+00 3.24 -2.954326441e+00 -2.954326441e+00 3.26 -2.941280757e+00 -2.941280757e+00 3.28 -2.925393115e+00 -2.925393115e+00 3.30 -2.906919753e+00 -2.906919753e+00 3.32 -2.886093373e+00 -2.886093373e+00 3.34 -2.863125695e+00 -2.863125695e+00 3.36 -2.838209477e+00 -2.838209477e+00 3.38 -2.811519963e+00 -2.811519963e+00 3.40 -2.783214974e+00 -2.783214974e+00 3.42 -2.753440990e+00 -2.753440990e+00 3.44 -2.722327131e+00 -2.722327131e+00 3.46 -2.689992282e+00 -2.689992282e+00 3.48 -2.656590475e+00 -2.656590475e+00 3.50 -2.622221742e+00 -2.622221742e+00 3.52 -2.586931497e+00 -2.586931497e+00 3.54 -2.550768389e+00 -2.550768389e+00 3.56 -2.513783036e+00 -2.513783036e+00 3.58 -2.476027101e+00 -2.476027101e+00 3.60 -2.437552767e+00 -2.437552767e+00 3.62 -2.398412691e+00 -2.398412691e+00 3.64 -2.358660409e+00 -2.358660409e+00 3.66 -2.318350473e+00 -2.318350473e+00 3.68 -2.277531677e+00 -2.277531677e+00 3.70 -2.236250893e+00 -2.236250893e+00 3.72 -2.194563665e+00 -2.194563665e+00 3.74 -2.152535367e+00 -2.152535367e+00 3.76 -2.110241981e+00 -2.110241981e+00 3.78 -2.067770365e+00 -2.067770365e+00 3.80 -2.025217815e+00 -2.025217815e+00 3.82 -1.982690661e+00 -1.982690661e+00 3.84 -1.940301782e+00 -1.940301782e+00 3.86 -1.898166968e+00 -1.898166968e+00 3.88 -1.856400336e+00 -1.856400336e+00 3.90 -1.815109190e+00 -1.815109190e+00 3.92 -1.774387206e+00 -1.774387206e+00 3.94 -1.734317551e+00 -1.734317551e+00 3.96 -1.694958372e+00 -1.694958372e+00 3.98 -1.656349906e+00 -1.656349906e+00 4.00 -1.618512953e+00 -1.618512953e+00 4.02 -1.581450977e+00 -1.581450977e+00 4.04 -1.545153142e+00 -1.545153142e+00 4.06 -1.509597711e+00 -1.509597711e+00 4.08 -1.474755358e+00 -1.474755358e+00 4.10 -1.440586254e+00 -1.440586254e+00 4.12 -1.407066691e+00 -1.407066691e+00 4.14 -1.374152645e+00 -1.374152645e+00 4.16 -1.341807881e+00 -1.341807881e+00 4.18 -1.309997755e+00 -1.309997755e+00 4.20 -1.278689890e+00 -1.278689890e+00 4.22 -1.247854720e+00 -1.247854720e+00 4.24 -1.217465995e+00 -1.217465995e+00 4.26 -1.187501309e+00 -1.187501309e+00 4.28 -1.157942639e+00 -1.157942639e+00 4.30 -1.128776914e+00 -1.128776914e+00 4.32 -1.099996530e+00 -1.099996530e+00 4.34 -1.071599768e+00 -1.071599768e+00 4.36 -1.043591008e+00 -1.043591008e+00 4.38 -1.015980666e+00 -1.015980666e+00 4.40 -9.887847780e-01 -9.887847780e-01 4.42 -9.620242006e-01 -9.620242006e-01 4.44 -9.357234383e-01 -9.357234383e-01 4.46 -9.099091669e-01 -9.099091669e-01 4.48 -8.846085708e-01 -8.846085708e-01 4.50 -8.598476472e-01 -8.598476472e-01 4.52 -8.356496392e-01 -8.356496392e-01 4.54 -8.120337435e-01 -8.120337435e-01 4.56 -7.890141951e-01 -7.890141951e-01 4.58 -7.665997779e-01 -7.665997779e-01 4.60 -7.447937503e-01 -7.447937503e-01 4.62 -7.235941314e-01 -7.235941314e-01 4.64 -7.029942570e-01 -7.029942570e-01 4.66 -6.829835091e-01 -6.829835091e-01 4.68 -6.635481216e-01 -6.635481216e-01 4.70 -6.446719831e-01 -6.446719831e-01 4.72 -6.263373797e-01 -6.263373797e-01 4.74 -6.085256393e-01 -6.085256393e-01 4.76 -5.912176633e-01 -5.912176633e-01 4.78 -5.743943402e-01 -5.743943402e-01 4.80 -5.580324300e-01 -5.580324300e-01 4.82 -5.421231920e-01 -5.421231920e-01 4.84 -5.266436728e-01 -5.266436728e-01 4.86 -5.115769261e-01 -5.115769261e-01 4.88 -4.969067402e-01 -4.969067402e-01 4.90 -4.826176364e-01 -4.826176364e-01 4.92 -4.686948510e-01 -4.686948510e-01 4.94 -4.551243086e-01 -4.551243086e-01 4.96 -4.418925967e-01 -4.418925967e-01 4.98 -4.289869468e-01 -4.289869468e-01 5.00 -4.163952257e-01 -4.163952257e-01 5.02 -4.041059411e-01 -4.041059411e-01 5.04 -3.921082603e-01 -3.921082603e-01 5.06 -3.803920434e-01 -3.803920434e-01 5.08 -3.689478867e-01 -3.689478867e-01 5.10 -3.577671750e-01 -3.577671750e-01 5.12 -3.468421347e-01 -3.468421347e-01 5.14 -3.361658849e-01 -3.361658849e-01 5.16 -3.257324768e-01 -3.257324768e-01 5.18 -3.155369160e-01 -3.155369160e-01 5.20 -3.055751619e-01 -3.055751619e-01 5.22 -2.958440979e-01 -2.958440979e-01 5.24 -2.863414728e-01 -2.863414728e-01 5.26 -2.770658121e-01 -2.770658121e-01 5.28 -2.680163056e-01 -2.680163056e-01 5.30 -2.591926754e-01 -2.591926754e-01 5.32 -2.505950361e-01 -2.505950361e-01 5.34 -2.422237532e-01 -2.422237532e-01 5.36 -2.340793071e-01 -2.340793071e-01 5.38 -2.261621680e-01 -2.261621680e-01 5.40 -2.184726799e-01 -2.184726799e-01 5.42 -2.110109517e-01 -2.110109517e-01 5.44 -2.037767509e-01 -2.037767509e-01 5.46 -1.967693927e-01 -1.967693927e-01 5.48 -1.899876248e-01 -1.899876248e-01 5.50 -1.834295081e-01 -1.834295081e-01 5.52 -1.770922991e-01 -1.770922991e-01 5.54 -1.709723463e-01 -1.709723463e-01 5.56 -1.650650116e-01 -1.650650116e-01 5.58 -1.593646284e-01 -1.593646284e-01 5.60 -1.538645062e-01 -1.538645062e-01 5.62 -1.485569837e-01 -1.485569837e-01 5.64 -1.434335288e-01 -1.434335288e-01 5.66 -1.384848784e-01 -1.384848784e-01 5.68 -1.337012068e-01 -1.337012068e-01 5.70 -1.290723098e-01 -1.290723098e-01 5.72 -1.245877927e-01 -1.245877927e-01 5.74 -1.202372526e-01 -1.202372526e-01 5.76 -1.160104459e-01 -1.160104459e-01 5.78 -1.118974371e-01 -1.118974371e-01 5.80 -1.078887272e-01 -1.078887272e-01 5.82 -1.039753615e-01 -1.039753615e-01 5.84 -1.001490179e-01 -1.001490179e-01 5.86 -9.640207871e-02 -9.640207871e-02 5.88 -9.272768722e-02 -9.272768722e-02 5.90 -8.911979201e-02 -8.911979201e-02 5.92 -8.557317957e-02 -8.557317957e-02 5.94 -8.208349618e-02 -8.208349618e-02 5.96 -7.864725946e-02 -7.864725946e-02 5.98 -7.526185885e-02 -7.526185885e-02 6.00 -7.192554356e-02 -7.192554356e-02