# 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 = FeMgPt2 # 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 3.479543730e+02 3.479543730e+02 1.30 3.227887637e+02 3.227887637e+02 1.32 2.993948046e+02 2.993948046e+02 1.34 2.776465340e+02 2.776465340e+02 1.36 2.574285292e+02 2.574285292e+02 1.38 2.386314764e+02 2.386314764e+02 1.40 2.211506955e+02 2.211506955e+02 1.42 2.048870487e+02 2.048870487e+02 1.44 1.897465864e+02 1.897465864e+02 1.46 1.756403096e+02 1.756403096e+02 1.48 1.624865055e+02 1.624865055e+02 1.50 1.502129976e+02 1.502129976e+02 1.52 1.387559606e+02 1.387559606e+02 1.54 1.280563376e+02 1.280563376e+02 1.56 1.180570416e+02 1.180570416e+02 1.58 1.087021984e+02 1.087021984e+02 1.60 9.993772391e+01 9.993772391e+01 1.62 9.171246229e+01 9.171246229e+01 1.64 8.397984309e+01 8.397984309e+01 1.66 7.669993175e+01 7.669993175e+01 1.68 6.984112397e+01 6.984112397e+01 1.70 6.338529135e+01 6.338529135e+01 1.72 5.742017656e+01 5.742017656e+01 1.74 5.195945521e+01 5.195945521e+01 1.76 4.696939987e+01 4.696939987e+01 1.78 4.241404047e+01 4.241404047e+01 1.80 3.825623026e+01 3.825623026e+01 1.82 3.445998954e+01 3.445998954e+01 1.84 3.099259282e+01 3.099259282e+01 1.86 2.782546996e+01 2.782546996e+01 1.88 2.493379763e+01 2.493379763e+01 1.90 2.229523290e+01 2.229523290e+01 1.92 1.988856690e+01 1.988856690e+01 1.94 1.769301509e+01 1.769301509e+01 1.96 1.568839938e+01 1.568839938e+01 1.98 1.385586294e+01 1.385586294e+01 2.00 1.217854208e+01 1.217854208e+01 2.02 1.064183372e+01 1.064183372e+01 2.04 9.233257315e+00 9.233257315e+00 2.06 7.942099493e+00 7.942099493e+00 2.08 6.759017953e+00 6.759017953e+00 2.10 5.675695953e+00 5.675695953e+00 2.12 4.684573435e+00 4.684573435e+00 2.14 3.778665776e+00 3.778665776e+00 2.16 2.951467085e+00 2.951467085e+00 2.18 2.196920871e+00 2.196920871e+00 2.20 1.509428101e+00 1.509428101e+00 2.22 8.838592825e-01 8.838592825e-01 2.24 3.155547853e-01 3.155547853e-01 2.26 -1.996912199e-01 -1.996912199e-01 2.28 -6.656617536e-01 -6.656617536e-01 2.30 -1.085758089e+00 -1.085758089e+00 2.32 -1.463053602e+00 -1.463053602e+00 2.34 -1.800354578e+00 -1.800354578e+00 2.36 -2.100268024e+00 -2.100268024e+00 2.38 -2.365270148e+00 -2.365270148e+00 2.40 -2.597770094e+00 -2.597770094e+00 2.42 -2.801204794e+00 -2.801204794e+00 2.44 -2.980107632e+00 -2.980107632e+00 2.46 -3.136138476e+00 -3.136138476e+00 2.48 -3.270989577e+00 -3.270989577e+00 2.50 -3.386499564e+00 -3.386499564e+00 2.52 -3.484606235e+00 -3.484606235e+00 2.54 -3.567273691e+00 -3.567273691e+00 2.56 -3.636395798e+00 -3.636395798e+00 2.58 -3.693691844e+00 -3.693691844e+00 2.60 -3.740620631e+00 -3.740620631e+00 2.62 -3.778336221e+00 -3.778336221e+00 2.64 -3.807694312e+00 -3.807694312e+00 2.66 -3.829296298e+00 -3.829296298e+00 2.68 -3.843554521e+00 -3.843554521e+00 2.70 -3.850756039e+00 -3.850756039e+00 2.72 -3.851114076e+00 -3.851114076e+00 2.74 -3.844803237e+00 -3.844803237e+00 2.76 -3.831981995e+00 -3.831981995e+00 2.78 -3.812803608e+00 -3.812803608e+00 2.80 -3.787420297e+00 -3.787420297e+00 2.82 -3.755995636e+00 -3.755995636e+00 2.84 -3.718716376e+00 -3.718716376e+00 2.86 -3.675807672e+00 -3.675807672e+00 2.88 -3.627552308e+00 -3.627552308e+00 2.90 -3.574311257e+00 -3.574311257e+00 2.92 -3.516540975e+00 -3.516540975e+00 2.94 -3.454801321e+00 -3.454801321e+00 2.96 -3.389745219e+00 -3.389745219e+00 2.98 -3.322054446e+00 -3.322054446e+00 3.00 -3.252414169e+00 -3.252414169e+00 3.02 -3.181493025e+00 -3.181493025e+00 3.04 -3.109890469e+00 -3.109890469e+00 3.06 -3.038097262e+00 -3.038097262e+00 3.08 -2.966475284e+00 -2.966475284e+00 3.10 -2.895260442e+00 -2.895260442e+00 3.12 -2.824581610e+00 -2.824581610e+00 3.14 -2.754490663e+00 -2.754490663e+00 3.16 -2.684995480e+00 -2.684995480e+00 3.18 -2.616209764e+00 -2.616209764e+00 3.20 -2.548368933e+00 -2.548368933e+00 3.22 -2.481670924e+00 -2.481670924e+00 3.24 -2.416284018e+00 -2.416284018e+00 3.26 -2.352357217e+00 -2.352357217e+00 3.28 -2.290023469e+00 -2.290023469e+00 3.30 -2.229398289e+00 -2.229398289e+00 3.32 -2.170576084e+00 -2.170576084e+00 3.34 -2.113626131e+00 -2.113626131e+00 3.36 -2.058589646e+00 -2.058589646e+00 3.38 -2.005478841e+00 -2.005478841e+00 3.40 -1.954282504e+00 -1.954282504e+00 3.42 -1.904969252e+00 -1.904969252e+00 3.44 -1.857471073e+00 -1.857471073e+00 3.46 -1.811705810e+00 -1.811705810e+00 3.48 -1.767583000e+00 -1.767583000e+00 3.50 -1.725008261e+00 -1.725008261e+00 3.52 -1.683886887e+00 -1.683886887e+00 3.54 -1.644126552e+00 -1.644126552e+00 3.56 -1.605639170e+00 -1.605639170e+00 3.58 -1.568342011e+00 -1.568342011e+00 3.60 -1.532158236e+00 -1.532158236e+00 3.62 -1.497015252e+00 -1.497015252e+00 3.64 -1.462836290e+00 -1.462836290e+00 3.66 -1.429547447e+00 -1.429547447e+00 3.68 -1.397082151e+00 -1.397082151e+00 3.70 -1.365380324e+00 -1.365380324e+00 3.72 -1.334387682e+00 -1.334387682e+00 3.74 -1.304055138e+00 -1.304055138e+00 3.76 -1.274338301e+00 -1.274338301e+00 3.78 -1.245197083e+00 -1.245197083e+00 3.80 -1.216595361e+00 -1.216595361e+00 3.82 -1.188500713e+00 -1.188500713e+00 3.84 -1.160884159e+00 -1.160884159e+00 3.86 -1.133719914e+00 -1.133719914e+00 3.88 -1.106985147e+00 -1.106985147e+00 3.90 -1.080659750e+00 -1.080659750e+00 3.92 -1.054726068e+00 -1.054726068e+00 3.94 -1.029169219e+00 -1.029169219e+00 3.96 -1.003976518e+00 -1.003976518e+00 3.98 -9.791381381e-01 -9.791381381e-01 4.00 -9.546473663e-01 -9.546473663e-01 4.02 -9.305010845e-01 -9.305010845e-01 4.04 -9.067002972e-01 -9.067002972e-01 4.06 -8.832505927e-01 -8.832505927e-01 4.08 -8.601624196e-01 -8.601624196e-01 4.10 -8.374509214e-01 -8.374509214e-01 4.12 -8.151360130e-01 -8.151360130e-01 4.14 -7.932405650e-01 -7.932405650e-01 4.16 -7.717895542e-01 -7.717895542e-01 4.18 -7.508080157e-01 -7.508080157e-01 4.20 -7.303188988e-01 -7.303188988e-01 4.22 -7.103408922e-01 -7.103408922e-01 4.24 -6.908864741e-01 -6.908864741e-01 4.26 -6.719604189e-01 -6.719604189e-01 4.28 -6.535589179e-01 -6.535589179e-01 4.30 -6.356693687e-01 -6.356693687e-01 4.32 -6.182707802e-01 -6.182707802e-01 4.34 -6.013346584e-01 -6.013346584e-01 4.36 -5.848261923e-01 -5.848261923e-01 4.38 -5.687055579e-01 -5.687055579e-01 4.40 -5.529291877e-01 -5.529291877e-01 4.42 -5.374509033e-01 -5.374509033e-01 4.44 -5.222228599e-01 -5.222228599e-01 4.46 -5.071963015e-01 -5.071963015e-01 4.48 -4.923221567e-01 -4.923221567e-01 4.50 -4.775515318e-01 -4.775515318e-01 4.52 -4.628361672e-01 -4.628361672e-01 4.54 -4.481289269e-01 -4.481289269e-01 4.56 -4.333843891e-01 -4.333843891e-01 4.58 -4.185595961e-01 -4.185595961e-01 4.60 -4.036150110e-01 -4.036150110e-01 4.62 -3.885157104e-01 -3.885157104e-01 4.64 -3.732328191e-01 -3.732328191e-01 4.66 -3.577451634e-01 -3.577451634e-01 4.68 -3.420410810e-01 -3.420410810e-01 4.70 -3.261202853e-01 -3.261202853e-01 4.72 -3.099956360e-01 -3.099956360e-01 4.74 -2.936946275e-01 -2.936946275e-01 4.76 -2.772603796e-01 -2.772603796e-01 4.78 -2.607519093e-01 -2.607519093e-01 4.80 -2.442433122e-01 -2.442433122e-01 4.82 -2.278228123e-01 -2.278228123e-01 4.84 -2.115888469e-01 -2.115888469e-01 4.86 -1.956471337e-01 -1.956471337e-01 4.88 -1.801059705e-01 -1.801059705e-01 4.90 -1.650713471e-01 -1.650713471e-01 4.92 -1.506420775e-01 -1.506420775e-01 4.94 -1.369053889e-01 -1.369053889e-01 4.96 -1.239333483e-01 -1.239333483e-01 4.98 -1.117804078e-01 -1.117804078e-01 5.00 -1.004821939e-01 -1.004821939e-01 5.02 -9.005552657e-02 -9.005552657e-02 5.04 -8.049952145e-02 -8.049952145e-02 5.06 -7.179753679e-02 -7.179753679e-02 5.08 -6.391968344e-02 -6.391968344e-02 5.10 -5.682561484e-02 -5.682561484e-02 5.12 -5.046734798e-02 -5.046734798e-02 5.14 -4.479192031e-02 -4.479192031e-02 5.16 -3.974375049e-02 -3.974375049e-02 5.18 -3.526662900e-02 -3.526662900e-02 5.20 -3.130528484e-02 -3.130528484e-02 5.22 -2.780660886e-02 -2.780660886e-02 5.24 -2.472050472e-02 -2.472050472e-02 5.26 -2.200019369e-02 -2.200019369e-02 5.28 -1.960223608e-02 -1.960223608e-02 5.30 -1.748863557e-02 -1.748863557e-02 5.32 -1.562497806e-02 -1.562497806e-02 5.34 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