# 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 = MoNiZr2 # 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 2.889120557e+02 2.889120557e+02 1.30 2.678490606e+02 2.678490606e+02 1.32 2.483438251e+02 2.483438251e+02 1.34 2.302665434e+02 2.302665434e+02 1.36 2.134991857e+02 2.134991857e+02 1.38 1.979355982e+02 1.979355982e+02 1.40 1.834808100e+02 1.834808100e+02 1.42 1.700492244e+02 1.700492244e+02 1.44 1.575626229e+02 1.575626229e+02 1.46 1.459491276e+02 1.459491276e+02 1.48 1.351431112e+02 1.351431112e+02 1.50 1.250850891e+02 1.250850891e+02 1.52 1.157212247e+02 1.157212247e+02 1.54 1.070026959e+02 1.070026959e+02 1.56 9.888524781e+01 9.888524781e+01 1.58 9.132889111e+01 9.132889111e+01 1.60 8.429734121e+01 8.429734121e+01 1.62 7.775708776e+01 7.775708776e+01 1.64 7.167640301e+01 7.167640301e+01 1.66 6.602462934e+01 6.602462934e+01 1.68 6.077190906e+01 6.077190906e+01 1.70 5.588940719e+01 5.588940719e+01 1.72 5.134966066e+01 5.134966066e+01 1.74 4.712692307e+01 4.712692307e+01 1.76 4.319737055e+01 4.319737055e+01 1.78 3.953922049e+01 3.953922049e+01 1.80 3.613268872e+01 3.613268872e+01 1.82 3.295985696e+01 3.295985696e+01 1.84 3.000435553e+01 3.000435553e+01 1.86 2.725117930e+01 2.725117930e+01 1.88 2.468656029e+01 2.468656029e+01 1.90 2.229790575e+01 2.229790575e+01 1.92 2.007368603e+01 2.007368603e+01 1.94 1.800400836e+01 1.800400836e+01 1.96 1.607924529e+01 1.607924529e+01 1.98 1.429136351e+01 1.429136351e+01 2.00 1.263213663e+01 1.263213663e+01 2.02 1.109300863e+01 1.109300863e+01 2.04 9.665901940e+00 9.665901940e+00 2.06 8.343141613e+00 8.343141613e+00 2.08 7.117384094e+00 7.117384094e+00 2.10 5.981590840e+00 5.981590840e+00 2.12 4.929067888e+00 4.929067888e+00 2.14 3.953542027e+00 3.953542027e+00 2.16 3.049263105e+00 3.049263105e+00 2.18 2.211047103e+00 2.211047103e+00 2.20 1.434261445e+00 1.434261445e+00 2.22 7.147312650e-01 7.147312650e-01 2.24 4.864694526e-02 4.864694526e-02 2.26 -5.674990642e-01 -5.674990642e-01 2.28 -1.136955150e+00 -1.136955150e+00 2.30 -1.662695377e+00 -1.662695377e+00 2.32 -2.147476016e+00 -2.147476016e+00 2.34 -2.593822847e+00 -2.593822847e+00 2.36 -3.004096724e+00 -3.004096724e+00 2.38 -3.380519645e+00 -3.380519645e+00 2.40 -3.725201358e+00 -3.725201358e+00 2.42 -4.040167918e+00 -4.040167918e+00 2.44 -4.327372187e+00 -4.327372187e+00 2.46 -4.588711002e+00 -4.588711002e+00 2.48 -4.826021268e+00 -4.826021268e+00 2.50 -5.041063934e+00 -5.041063934e+00 2.52 -5.235498711e+00 -5.235498711e+00 2.54 -5.410857188e+00 -5.410857188e+00 2.56 -5.568522418e+00 -5.568522418e+00 2.58 -5.709721859e+00 -5.709721859e+00 2.60 -5.835537110e+00 -5.835537110e+00 2.62 -5.946924420e+00 -5.946924420e+00 2.64 -6.044764104e+00 -6.044764104e+00 2.66 -6.129864926e+00 -6.129864926e+00 2.68 -6.203009875e+00 -6.203009875e+00 2.70 -6.264967013e+00 -6.264967013e+00 2.72 -6.316495986e+00 -6.316495986e+00 2.74 -6.358361251e+00 -6.358361251e+00 2.76 -6.391400246e+00 -6.391400246e+00 2.78 -6.416219238e+00 -6.416219238e+00 2.80 -6.433365358e+00 -6.433365358e+00 2.82 -6.443343643e+00 -6.443343643e+00 2.84 -6.446621984e+00 -6.446621984e+00 2.86 -6.443626470e+00 -6.443626470e+00 2.88 -6.434684779e+00 -6.434684779e+00 2.90 -6.420119463e+00 -6.420119463e+00 2.92 -6.400280667e+00 -6.400280667e+00 2.94 -6.375277548e+00 -6.375277548e+00 2.96 -6.345189127e+00 -6.345189127e+00 2.98 -6.310117626e+00 -6.310117626e+00 3.00 -6.270183912e+00 -6.270183912e+00 3.02 -6.225520911e+00 -6.225520911e+00 3.04 -6.176264728e+00 -6.176264728e+00 3.06 -6.122568074e+00 -6.122568074e+00 3.08 -6.064532681e+00 -6.064532681e+00 3.10 -6.002180278e+00 -6.002180278e+00 3.12 -5.935466524e+00 -5.935466524e+00 3.14 -5.864352296e+00 -5.864352296e+00 3.16 -5.788854628e+00 -5.788854628e+00 3.18 -5.709058931e+00 -5.709058931e+00 3.20 -5.625105666e+00 -5.625105666e+00 3.22 -5.537183303e+00 -5.537183303e+00 3.24 -5.445523461e+00 -5.445523461e+00 3.26 -5.350398362e+00 -5.350398362e+00 3.28 -5.252119600e+00 -5.252119600e+00 3.30 -5.151036337e+00 -5.151036337e+00 3.32 -5.047530998e+00 -5.047530998e+00 3.34 -4.942011623e+00 -4.942011623e+00 3.36 -4.834901539e+00 -4.834901539e+00 3.38 -4.726628220e+00 -4.726628220e+00 3.40 -4.617611627e+00 -4.617611627e+00 3.42 -4.508263918e+00 -4.508263918e+00 3.44 -4.398972640e+00 -4.398972640e+00 3.46 -4.290105002e+00 -4.290105002e+00 3.48 -4.182002032e+00 -4.182002032e+00 3.50 -4.074974539e+00 -4.074974539e+00 3.52 -3.969298705e+00 -3.969298705e+00 3.54 -3.865211876e+00 -3.865211876e+00 3.56 -3.762909295e+00 -3.762909295e+00 3.58 -3.662542439e+00 -3.662542439e+00 3.60 -3.564219326e+00 -3.564219326e+00 3.62 -3.468006827e+00 -3.468006827e+00 3.64 -3.373934754e+00 -3.373934754e+00 3.66 -3.282001352e+00 -3.282001352e+00 3.68 -3.192179767e+00 -3.192179767e+00 3.70 -3.104425138e+00 -3.104425138e+00 3.72 -3.018681967e+00 -3.018681967e+00 3.74 -2.934891496e+00 -2.934891496e+00 3.76 -2.852998777e+00 -2.852998777e+00 3.78 -2.772959047e+00 -2.772959047e+00 3.80 -2.694742877e+00 -2.694742877e+00 3.82 -2.618339507e+00 -2.618339507e+00 3.84 -2.543757737e+00 -2.543757737e+00 3.86 -2.471023958e+00 -2.471023958e+00 3.88 -2.400177309e+00 -2.400177309e+00 3.90 -2.331262483e+00 -2.331262483e+00 3.92 -2.264317654e+00 -2.264317654e+00 3.94 -2.199381371e+00 -2.199381371e+00 3.96 -2.136461859e+00 -2.136461859e+00 3.98 -2.075549903e+00 -2.075549903e+00 4.00 -2.016613288e+00 -2.016613288e+00 4.02 -1.959598527e+00 -1.959598527e+00 4.04 -1.904434617e+00 -1.904434617e+00 4.06 -1.851037883e+00 -1.851037883e+00 4.08 -1.799317022e+00 -1.799317022e+00 4.10 -1.749169292e+00 -1.749169292e+00 4.12 -1.700519457e+00 -1.700519457e+00 4.14 -1.653267081e+00 -1.653267081e+00 4.16 -1.607327445e+00 -1.607327445e+00 4.18 -1.562622254e+00 -1.562622254e+00 4.20 -1.519080143e+00 -1.519080143e+00 4.22 -1.476636789e+00 -1.476636789e+00 4.24 -1.435234802e+00 -1.435234802e+00 4.26 -1.394823524e+00 -1.394823524e+00 4.28 -1.355358829e+00 -1.355358829e+00 4.30 -1.316802980e+00 -1.316802980e+00 4.32 -1.279124564e+00 -1.279124564e+00 4.34 -1.242298478e+00 -1.242298478e+00 4.36 -1.206305930e+00 -1.206305930e+00 4.38 -1.171134368e+00 -1.171134368e+00 4.40 -1.136777266e+00 -1.136777266e+00 4.42 -1.103233677e+00 -1.103233677e+00 4.44 -1.070507481e+00 -1.070507481e+00 4.46 -1.038606313e+00 -1.038606313e+00 4.48 -1.007540185e+00 -1.007540185e+00 4.50 -9.773199000e-01 -9.773199000e-01 4.52 -9.479553685e-01 -9.479553685e-01 4.54 -9.194540118e-01 -9.194540118e-01 4.56 -8.918194014e-01 -8.918194014e-01 4.58 -8.650502725e-01 -8.650502725e-01 4.60 -8.391399868e-01 -8.391399868e-01 4.62 -8.140764596e-01 -8.140764596e-01 4.64 -7.898425009e-01 -7.898425009e-01 4.66 -7.664164782e-01 -7.664164782e-01 4.68 -7.437731844e-01 -7.437731844e-01 4.70 -7.218847955e-01 -7.218847955e-01 4.72 -7.007218150e-01 -7.007218150e-01 4.74 -6.802539337e-01 -6.802539337e-01 4.76 -6.604507552e-01 -6.604507552e-01 4.78 -6.412823702e-01 -6.412823702e-01 4.80 -6.227135721e-01 -6.227135721e-01 4.82 -6.047300058e-01 -6.047300058e-01 4.84 -5.872977652e-01 -5.872977652e-01 4.86 -5.703918302e-01 -5.703918302e-01 4.88 -5.539885828e-01 -5.539885828e-01 4.90 -5.380657509e-01 -5.380657509e-01 4.92 -5.226023185e-01 -5.226023185e-01 4.94 -5.075784149e-01 -5.075784149e-01 4.96 -4.929751961e-01 -4.929751961e-01 4.98 -4.787747241e-01 -4.787747241e-01 5.00 -4.649598524e-01 -4.649598524e-01 5.02 -4.515141196e-01 -4.515141196e-01 5.04 -4.384216566e-01 -4.384216566e-01 5.06 -4.256671089e-01 -4.256671089e-01 5.08 -4.132355761e-01 -4.132355761e-01 5.10 -4.011125718e-01 -4.011125718e-01 5.12 -3.892840060e-01 -3.892840060e-01 5.14 -3.777361918e-01 -3.777361918e-01 5.16 -3.664558801e-01 -3.664558801e-01 5.18 -3.554303245e-01 -3.554303245e-01 5.20 -3.446473785e-01 -3.446473785e-01 5.22 -3.340956256e-01 -3.340956256e-01 5.24 -3.237645433e-01 -3.237645433e-01 5.26 -3.136446964e-01 -3.136446964e-01 5.28 -3.037279548e-01 -3.037279548e-01 5.30 -2.940077234e-01 -2.940077234e-01 5.32 -2.844791701e-01 -2.844791701e-01 5.34 -2.751394301e-01 -2.751394301e-01 5.36 -2.659877620e-01 -2.659877620e-01 5.38 -2.570256275e-01 -2.570256275e-01 5.40 -2.482566669e-01 -2.482566669e-01 5.42 -2.396865494e-01 -2.396865494e-01 5.44 -2.313226817e-01 -2.313226817e-01 5.46 -2.231737779e-01 -2.231737779e-01 5.48 -2.152493042e-01 -2.152493042e-01 5.50 -2.075588353e-01 -2.075588353e-01 5.52 -2.001113704e-01 -2.001113704e-01 5.54 -1.929146667e-01 -1.929146667e-01 5.56 -1.859746470e-01 -1.859746470e-01 5.58 -1.792949350e-01 -1.792949350e-01 5.60 -1.728763212e-01 -1.728763212e-01 5.62 -1.667169782e-01 -1.667169782e-01 5.64 -1.608127322e-01 -1.608127322e-01 5.66 -1.551568404e-01 -1.551568404e-01 5.68 -1.497403122e-01 -1.497403122e-01 5.70 -1.445523054e-01 -1.445523054e-01 5.72 -1.395805536e-01 -1.395805536e-01 5.74 -1.348117869e-01 -1.348117869e-01 5.76 -1.302321223e-01 -1.302321223e-01 5.78 -1.258274027e-01 -1.258274027e-01 5.80 -1.215834774e-01 -1.215834774e-01 5.82 -1.174864227e-01 -1.174864227e-01 5.84 -1.135227058e-01 -1.135227058e-01 5.86 -1.096793009e-01 -1.096793009e-01 5.88 -1.059437653e-01 -1.059437653e-01 5.90 -1.023042876e-01 -1.023042876e-01 5.92 -9.874971650e-02 -9.874971650e-02 5.94 -9.526957998e-02 -9.526957998e-02 5.96 -9.185410220e-02 -9.185410220e-02 5.98 -8.849422567e-02 -8.849422567e-02 6.00 -8.518164318e-02 -8.518164318e-02