# 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 = Ag2NiZr # 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 2.602508576e+02 2.602508576e+02 1.30 2.410929863e+02 2.410929863e+02 1.32 2.233642246e+02 2.233642246e+02 1.34 2.069491701e+02 2.069491701e+02 1.36 1.917427913e+02 1.917427913e+02 1.38 1.776505342e+02 1.776505342e+02 1.40 1.645871215e+02 1.645871215e+02 1.42 1.524745522e+02 1.524745522e+02 1.44 1.412404136e+02 1.412404136e+02 1.46 1.308171274e+02 1.308171274e+02 1.48 1.211420561e+02 1.211420561e+02 1.50 1.121578334e+02 1.121578334e+02 1.52 1.038123568e+02 1.038123568e+02 1.54 9.605823559e+01 9.605823559e+01 1.56 8.885205079e+01 8.885205079e+01 1.58 8.215376426e+01 8.215376426e+01 1.60 7.592635276e+01 7.592635276e+01 1.62 7.013554655e+01 7.013554655e+01 1.64 6.474961242e+01 6.474961242e+01 1.66 5.973912426e+01 5.973912426e+01 1.68 5.507677859e+01 5.507677859e+01 1.70 5.073734842e+01 5.073734842e+01 1.72 4.669761995e+01 4.669761995e+01 1.74 4.293648353e+01 4.293648353e+01 1.76 3.943478870e+01 3.943478870e+01 1.78 3.617435455e+01 3.617435455e+01 1.80 3.313850843e+01 3.313850843e+01 1.82 3.031380529e+01 3.031380529e+01 1.84 2.768628242e+01 2.768628242e+01 1.86 2.524240622e+01 2.524240622e+01 1.88 2.296967934e+01 2.296967934e+01 1.90 2.085657503e+01 2.085657503e+01 1.92 1.889243591e+01 1.889243591e+01 1.94 1.706734996e+01 1.706734996e+01 1.96 1.537204110e+01 1.537204110e+01 1.98 1.379782425e+01 1.379782425e+01 2.00 1.233659724e+01 1.233659724e+01 2.02 1.098082398e+01 1.098082398e+01 2.04 9.723493355e+00 9.723493355e+00 2.06 8.558056107e+00 8.558056107e+00 2.08 7.478352292e+00 7.478352292e+00 2.10 6.478564477e+00 6.478564477e+00 2.12 5.553196147e+00 5.553196147e+00 2.14 4.697076155e+00 4.697076155e+00 2.16 3.905379307e+00 3.905379307e+00 2.18 3.173629036e+00 3.173629036e+00 2.20 2.497686897e+00 2.497686897e+00 2.22 1.873713052e+00 1.873713052e+00 2.24 1.298132323e+00 1.298132323e+00 2.26 7.676134979e-01 7.676134979e-01 2.28 2.790508762e-01 2.790508762e-01 2.30 -1.704247590e-01 -1.704247590e-01 2.32 -5.834785387e-01 -5.834785387e-01 2.34 -9.625732501e-01 -9.625732501e-01 2.36 -1.310001906e+00 -1.310001906e+00 2.38 -1.627902211e+00 -1.627902211e+00 2.40 -1.918270266e+00 -1.918270266e+00 2.42 -2.182978811e+00 -2.182978811e+00 2.44 -2.423789618e+00 -2.423789618e+00 2.46 -2.642396956e+00 -2.642396956e+00 2.48 -2.840436943e+00 -2.840436943e+00 2.50 -3.019343101e+00 -3.019343101e+00 2.52 -3.180476156e+00 -3.180476156e+00 2.54 -3.325127085e+00 -3.325127085e+00 2.56 -3.454511946e+00 -3.454511946e+00 2.58 -3.569771386e+00 -3.569771386e+00 2.60 -3.671973585e+00 -3.671973585e+00 2.62 -3.762043546e+00 -3.762043546e+00 2.64 -3.840718079e+00 -3.840718079e+00 2.66 -3.908698694e+00 -3.908698694e+00 2.68 -3.966675959e+00 -3.966675959e+00 2.70 -4.015320303e+00 -4.015320303e+00 2.72 -4.055281449e+00 -4.055281449e+00 2.74 -4.087185917e+00 -4.087185917e+00 2.76 -4.111633439e+00 -4.111633439e+00 2.78 -4.129189537e+00 -4.129189537e+00 2.80 -4.140387601e+00 -4.140387601e+00 2.82 -4.145709240e+00 -4.145709240e+00 2.84 -4.145536618e+00 -4.145536618e+00 2.86 -4.140148358e+00 -4.140148358e+00 2.88 -4.129811335e+00 -4.129811335e+00 2.90 -4.114788189e+00 -4.114788189e+00 2.92 -4.095338719e+00 -4.095338719e+00 2.94 -4.071721319e+00 -4.071721319e+00 2.96 -4.044194077e+00 -4.044194077e+00 2.98 -4.013015483e+00 -4.013015483e+00 3.00 -3.978444738e+00 -3.978444738e+00 3.02 -3.940741641e+00 -3.940741641e+00 3.04 -3.900163900e+00 -3.900163900e+00 3.06 -3.856974315e+00 -3.856974315e+00 3.08 -3.811534039e+00 -3.811534039e+00 3.10 -3.764138585e+00 -3.764138585e+00 3.12 -3.714873795e+00 -3.714873795e+00 3.14 -3.663851017e+00 -3.663851017e+00 3.16 -3.611190779e+00 -3.611190779e+00 3.18 -3.557027078e+00 -3.557027078e+00 3.20 -3.501501431e+00 -3.501501431e+00 3.22 -3.444760582e+00 -3.444760582e+00 3.24 -3.386955508e+00 -3.386955508e+00 3.26 -3.328243702e+00 -3.328243702e+00 3.28 -3.268796451e+00 -3.268796451e+00 3.30 -3.208788762e+00 -3.208788762e+00 3.32 -3.148393949e+00 -3.148393949e+00 3.34 -3.087779574e+00 -3.087779574e+00 3.36 -3.027102157e+00 -3.027102157e+00 3.38 -2.966502035e+00 -2.966502035e+00 3.40 -2.906098600e+00 -2.906098600e+00 3.42 -2.845993478e+00 -2.845993478e+00 3.44 -2.786264066e+00 -2.786264066e+00 3.46 -2.726971208e+00 -2.726971208e+00 3.48 -2.668161044e+00 -2.668161044e+00 3.50 -2.609868246e+00 -2.609868246e+00 3.52 -2.552118767e+00 -2.552118767e+00 3.54 -2.494931879e+00 -2.494931879e+00 3.56 -2.438321549e+00 -2.438321549e+00 3.58 -2.382297264e+00 -2.382297264e+00 3.60 -2.326864514e+00 -2.326864514e+00 3.62 -2.272025098e+00 -2.272025098e+00 3.64 -2.217777461e+00 -2.217777461e+00 3.66 -2.164117189e+00 -2.164117189e+00 3.68 -2.111037836e+00 -2.111037836e+00 3.70 -2.058532184e+00 -2.058532184e+00 3.72 -2.006593994e+00 -2.006593994e+00 3.74 -1.955220240e+00 -1.955220240e+00 3.76 -1.904413695e+00 -1.904413695e+00 3.78 -1.854185593e+00 -1.854185593e+00 3.80 -1.804557990e+00 -1.804557990e+00 3.82 -1.755565297e+00 -1.755565297e+00 3.84 -1.707254504e+00 -1.707254504e+00 3.86 -1.659683690e+00 -1.659683690e+00 3.88 -1.612918732e+00 -1.612918732e+00 3.90 -1.567028478e+00 -1.567028478e+00 3.92 -1.522077642e+00 -1.522077642e+00 3.94 -1.478127015e+00 -1.478127015e+00 3.96 -1.435219477e+00 -1.435219477e+00 3.98 -1.393383517e+00 -1.393383517e+00 4.00 -1.352630424e+00 -1.352630424e+00 4.02 -1.312955081e+00 -1.312955081e+00 4.04 -1.274338175e+00 -1.274338175e+00 4.06 -1.236749250e+00 -1.236749250e+00 4.08 -1.200150031e+00 -1.200150031e+00 4.10 -1.164493682e+00 -1.164493682e+00 4.12 -1.129744002e+00 -1.129744002e+00 4.14 -1.095851755e+00 -1.095851755e+00 4.16 -1.062774654e+00 -1.062774654e+00 4.18 -1.030473797e+00 -1.030473797e+00 4.20 -9.989146029e-01 -9.989146029e-01 4.22 -9.680674448e-01 -9.680674448e-01 4.24 -9.379080578e-01 -9.379080578e-01 4.26 -9.084177336e-01 -9.084177336e-01 4.28 -8.795833153e-01 -8.795833153e-01 4.30 -8.513969925e-01 -8.513969925e-01 4.32 -8.238559002e-01 -8.238559002e-01 4.34 -7.969615346e-01 -7.969615346e-01 4.36 -7.707190157e-01 -7.707190157e-01 4.38 -7.451362321e-01 -7.451362321e-01 4.40 -7.202229095e-01 -7.202229095e-01 4.42 -6.959896357e-01 -6.959896357e-01 4.44 -6.724468674e-01 -6.724468674e-01 4.46 -6.496039353e-01 -6.496039353e-01 4.48 -6.274680669e-01 -6.274680669e-01 4.50 -6.060434561e-01 -6.060434561e-01 4.52 -5.853304284e-01 -5.853304284e-01 4.54 -5.653247629e-01 -5.653247629e-01 4.56 -5.460172391e-01 -5.460172391e-01 4.58 -5.273934643e-01 -5.273934643e-01 4.60 -5.094340089e-01 -5.094340089e-01 4.62 -4.921148438e-01 -4.921148438e-01 4.64 -4.754080375e-01 -4.754080375e-01 4.66 -4.592826448e-01 -4.592826448e-01 4.68 -4.437057084e-01 -4.437057084e-01 4.70 -4.286432938e-01 -4.286432938e-01 4.72 -4.140614938e-01 -4.140614938e-01 4.74 -3.999273556e-01 -3.999273556e-01 4.76 -3.862097009e-01 -3.862097009e-01 4.78 -3.728798275e-01 -3.728798275e-01 4.80 -3.599089575e-01 -3.599089575e-01 4.82 -3.472817538e-01 -3.472817538e-01 4.84 -3.349761819e-01 -3.349761819e-01 4.86 -3.229780463e-01 -3.229780463e-01 4.88 -3.112772987e-01 -3.112772987e-01 4.90 -2.998679768e-01 -2.998679768e-01 4.92 -2.887479870e-01 -2.887479870e-01 4.94 -2.779187222e-01 -2.779187222e-01 4.96 -2.673845130e-01 -2.673845130e-01 4.98 -2.571519291e-01 -2.571519291e-01 5.00 -2.472289576e-01 -2.472289576e-01 5.02 -2.376241060e-01 -2.376241060e-01 5.04 -2.283454889e-01 -2.283454889e-01 5.06 -2.193999635e-01 -2.193999635e-01 5.08 -2.107923793e-01 -2.107923793e-01 5.10 -2.025249960e-01 -2.025249960e-01 5.12 -1.945971062e-01 -1.945971062e-01 5.14 -1.870048813e-01 -1.870048813e-01 5.16 -1.797414313e-01 -1.797414313e-01 5.18 -1.727970566e-01 -1.727970566e-01 5.20 -1.661595657e-01 -1.661595657e-01 5.22 -1.598148226e-01 -1.598148226e-01 5.24 -1.537476311e-01 -1.537476311e-01 5.26 -1.479420017e-01 -1.479420017e-01 5.28 -1.423817207e-01 -1.423817207e-01 5.30 -1.370508848e-01 -1.370508848e-01 5.32 -1.319343646e-01 -1.319343646e-01 5.34 -1.270181834e-01 -1.270181834e-01 5.36 -1.222898028e-01 -1.222898028e-01 5.38 -1.177383116e-01 -1.177383116e-01 5.40 -1.133545128e-01 -1.133545128e-01 5.42 -1.091309128e-01 -1.091309128e-01 5.44 -1.050616147e-01 -1.050616147e-01 5.46 -1.011421260e-01 -1.011421260e-01 5.48 -9.736909630e-02 -9.736909630e-02 5.50 -9.374000344e-02 -9.374000344e-02 5.52 -9.025281604e-02 -9.025281604e-02 5.54 -8.690565894e-02 -8.690565894e-02 5.56 -8.369650841e-02 -8.369650841e-02 5.58 -8.062294020e-02 -8.062294020e-02 5.60 -7.768192073e-02 -7.768192073e-02 5.62 -7.486960213e-02 -7.486960213e-02 5.64 -7.218163797e-02 -7.218163797e-02 5.66 -6.961299864e-02 -6.961299864e-02 5.68 -6.715801243e-02 -6.715801243e-02 5.70 -6.481049268e-02 -6.481049268e-02 5.72 -6.256388106e-02 -6.256388106e-02 5.74 -6.041139223e-02 -6.041139223e-02 5.76 -5.834614836e-02 -5.834614836e-02 5.78 -5.636129626e-02 -5.636129626e-02 5.80 -5.445010314e-02 -5.445010314e-02 5.82 -5.260603022e-02 -5.260603022e-02 5.84 -5.082278574e-02 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