# 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 = AgAlZr2 # 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 2.853891556e+02 2.853891556e+02 1.30 2.657642343e+02 2.657642343e+02 1.32 2.475360550e+02 2.475360550e+02 1.34 2.305958685e+02 2.305958685e+02 1.36 2.148437399e+02 2.148437399e+02 1.38 2.001889516e+02 2.001889516e+02 1.40 1.865493016e+02 1.865493016e+02 1.42 1.738492573e+02 1.738492573e+02 1.44 1.620181657e+02 1.620181657e+02 1.46 1.509896249e+02 1.509896249e+02 1.48 1.407021740e+02 1.407021740e+02 1.50 1.311003348e+02 1.311003348e+02 1.52 1.221348809e+02 1.221348809e+02 1.54 1.137619303e+02 1.137619303e+02 1.56 1.059416347e+02 1.059416347e+02 1.58 9.863717071e+01 9.863717071e+01 1.60 9.181411937e+01 9.181411937e+01 1.62 8.543998375e+01 8.543998375e+01 1.64 7.948386849e+01 7.948386849e+01 1.66 7.391635172e+01 7.391635172e+01 1.68 6.870962596e+01 6.870962596e+01 1.70 6.383786363e+01 6.383786363e+01 1.72 5.927744233e+01 5.927744233e+01 1.74 5.500691818e+01 5.500691818e+01 1.76 5.100676430e+01 5.100676430e+01 1.78 4.725908704e+01 4.725908704e+01 1.80 4.374737892e+01 4.374737892e+01 1.82 4.045633828e+01 4.045633828e+01 1.84 3.737167229e+01 3.737167229e+01 1.86 3.448004490e+01 3.448004490e+01 1.88 3.176922036e+01 3.176922036e+01 1.90 2.922861049e+01 2.922861049e+01 1.92 2.684769853e+01 2.684769853e+01 1.94 2.461657068e+01 2.461657068e+01 1.96 2.252616978e+01 2.252616978e+01 1.98 2.056963051e+01 2.056963051e+01 2.00 1.873950173e+01 1.873950173e+01 2.02 1.702816344e+01 1.702816344e+01 2.04 1.542858374e+01 1.542858374e+01 2.06 1.393420613e+01 1.393420613e+01 2.08 1.253880567e+01 1.253880567e+01 2.10 1.123638395e+01 1.123638395e+01 2.12 1.002111892e+01 1.002111892e+01 2.14 8.887380716e+00 8.887380716e+00 2.16 7.829794282e+00 7.829794282e+00 2.18 6.843288695e+00 6.843288695e+00 2.20 5.923135455e+00 5.923135455e+00 2.22 5.064935535e+00 5.064935535e+00 2.24 4.264608445e+00 4.264608445e+00 2.26 3.518391104e+00 3.518391104e+00 2.28 2.822831710e+00 2.822831710e+00 2.30 2.174819570e+00 2.174819570e+00 2.32 1.571542278e+00 1.571542278e+00 2.34 1.010473168e+00 1.010473168e+00 2.36 4.893016851e-01 4.893016851e-01 2.38 5.878438787e-03 5.878438787e-03 2.40 -4.418386983e-01 -4.418386983e-01 2.42 -8.558354728e-01 -8.558354728e-01 2.44 -1.238063940e+00 -1.238063940e+00 2.46 -1.590462470e+00 -1.590462470e+00 2.48 -1.914948927e+00 -1.914948927e+00 2.50 -2.213401768e+00 -2.213401768e+00 2.52 -2.487636292e+00 -2.487636292e+00 2.54 -2.739384834e+00 -2.739384834e+00 2.56 -2.970285491e+00 -2.970285491e+00 2.58 -3.181878885e+00 -3.181878885e+00 2.60 -3.375608838e+00 -3.375608838e+00 2.62 -3.552819243e+00 -3.552819243e+00 2.64 -3.714759479e+00 -3.714759479e+00 2.66 -3.862559215e+00 -3.862559215e+00 2.68 -3.997235616e+00 -3.997235616e+00 2.70 -4.119796854e+00 -4.119796854e+00 2.72 -4.231005761e+00 -4.231005761e+00 2.74 -4.331453528e+00 -4.331453528e+00 2.76 -4.421691645e+00 -4.421691645e+00 2.78 -4.502236098e+00 -4.502236098e+00 2.80 -4.573583227e+00 -4.573583227e+00 2.82 -4.636193657e+00 -4.636193657e+00 2.84 -4.690507932e+00 -4.690507932e+00 2.86 -4.736935073e+00 -4.736935073e+00 2.88 -4.775715064e+00 -4.775715064e+00 2.90 -4.806998461e+00 -4.806998461e+00 2.92 -4.830977368e+00 -4.830977368e+00 2.94 -4.847882819e+00 -4.847882819e+00 2.96 -4.857980117e+00 -4.857980117e+00 2.98 -4.861565147e+00 -4.861565147e+00 3.00 -4.858960956e+00 -4.858960956e+00 3.02 -4.850513869e+00 -4.850513869e+00 3.04 -4.836584503e+00 -4.836584503e+00 3.06 -4.817558871e+00 -4.817558871e+00 3.08 -4.793813680e+00 -4.793813680e+00 3.10 -4.765728571e+00 -4.765728571e+00 3.12 -4.733674537e+00 -4.733674537e+00 3.14 -4.698462747e+00 -4.698462747e+00 3.16 -4.660571999e+00 -4.660571999e+00 3.18 -4.620103940e+00 -4.620103940e+00 3.20 -4.577180930e+00 -4.577180930e+00 3.22 -4.531941312e+00 -4.531941312e+00 3.24 -4.484536033e+00 -4.484536033e+00 3.26 -4.435126867e+00 -4.435126867e+00 3.28 -4.383885616e+00 -4.383885616e+00 3.30 -4.330992999e+00 -4.330992999e+00 3.32 -4.276638326e+00 -4.276638326e+00 3.34 -4.221020078e+00 -4.221020078e+00 3.36 -4.164330892e+00 -4.164330892e+00 3.38 -4.106790873e+00 -4.106790873e+00 3.40 -4.048584656e+00 -4.048584656e+00 3.42 -3.989794746e+00 -3.989794746e+00 3.44 -3.930489090e+00 -3.930489090e+00 3.46 -3.870731020e+00 -3.870731020e+00 3.48 -3.810579016e+00 -3.810579016e+00 3.50 -3.750088599e+00 -3.750088599e+00 3.52 -3.689313692e+00 -3.689313692e+00 3.54 -3.628307217e+00 -3.628307217e+00 3.56 -3.567120977e+00 -3.567120977e+00 3.58 -3.505805341e+00 -3.505805341e+00 3.60 -3.444410822e+00 -3.444410822e+00 3.62 -3.382985370e+00 -3.382985370e+00 3.64 -3.321571800e+00 -3.321571800e+00 3.66 -3.260207487e+00 -3.260207487e+00 3.68 -3.198924553e+00 -3.198924553e+00 3.70 -3.137750644e+00 -3.137750644e+00 3.72 -3.076710364e+00 -3.076710364e+00 3.74 -3.015827363e+00 -3.015827363e+00 3.76 -2.955126958e+00 -2.955126958e+00 3.78 -2.894639031e+00 -2.894639031e+00 3.80 -2.834400820e+00 -2.834400820e+00 3.82 -2.774459030e+00 -2.774459030e+00 3.84 -2.714870741e+00 -2.714870741e+00 3.86 -2.655702605e+00 -2.655702605e+00 3.88 -2.597028173e+00 -2.597028173e+00 3.90 -2.538923578e+00 -2.538923578e+00 3.92 -2.481458921e+00 -2.481458921e+00 3.94 -2.424706858e+00 -2.424706858e+00 3.96 -2.368716288e+00 -2.368716288e+00 3.98 -2.313525219e+00 -2.313525219e+00 4.00 -2.259155997e+00 -2.259155997e+00 4.02 -2.205616503e+00 -2.205616503e+00 4.04 -2.152902681e+00 -2.152902681e+00 4.06 -2.101001772e+00 -2.101001772e+00 4.08 -2.049895689e+00 -2.049895689e+00 4.10 -1.999557325e+00 -1.999557325e+00 4.12 -1.949981688e+00 -1.949981688e+00 4.14 -1.901143131e+00 -1.901143131e+00 4.16 -1.853028529e+00 -1.853028529e+00 4.18 -1.805630104e+00 -1.805630104e+00 4.20 -1.758946256e+00 -1.758946256e+00 4.22 -1.712982042e+00 -1.712982042e+00 4.24 -1.667749294e+00 -1.667749294e+00 4.26 -1.623266327e+00 -1.623266327e+00 4.28 -1.579557186e+00 -1.579557186e+00 4.30 -1.536650407e+00 -1.536650407e+00 4.32 -1.494577334e+00 -1.494577334e+00 4.34 -1.453370063e+00 -1.453370063e+00 4.36 -1.413059197e+00 -1.413059197e+00 4.38 -1.373671604e+00 -1.373671604e+00 4.40 -1.335228411e+00 -1.335228411e+00 4.42 -1.297743413e+00 -1.297743413e+00 4.44 -1.261222048e+00 -1.261222048e+00 4.46 -1.225660971e+00 -1.225660971e+00 4.48 -1.191048212e+00 -1.191048212e+00 4.50 -1.157363807e+00 -1.157363807e+00 4.52 -1.124580785e+00 -1.124580785e+00 4.54 -1.092666353e+00 -1.092666353e+00 4.56 -1.061583153e+00 -1.061583153e+00 4.58 -1.031290496e+00 -1.031290496e+00 4.60 -1.001745499e+00 -1.001745499e+00 4.62 -9.729041015e-01 -9.729041015e-01 4.64 -9.447219532e-01 -9.447219532e-01 4.66 -9.171551959e-01 -9.171551959e-01 4.68 -8.901611667e-01 -8.901611667e-01 4.70 -8.636990571e-01 -8.636990571e-01 4.72 -8.377305600e-01 -8.377305600e-01 4.74 -8.122205294e-01 -8.122205294e-01 4.76 -7.871376673e-01 -7.871376673e-01 4.78 -7.624552367e-01 -7.624552367e-01 4.80 -7.381457627e-01 -7.381457627e-01 4.82 -7.142068418e-01 -7.142068418e-01 4.84 -6.906224087e-01 -6.906224087e-01 4.86 -6.673907426e-01 -6.673907426e-01 4.88 -6.445174907e-01 -6.445174907e-01 4.90 -6.220156505e-01 -6.220156505e-01 4.92 -5.999051941e-01 -5.999051941e-01 4.94 -5.782122900e-01 -5.782122900e-01 4.96 -5.569681113e-01 -5.569681113e-01 4.98 -5.362072664e-01 -5.362072664e-01 5.00 -5.159659315e-01 -5.159659315e-01 5.02 -4.962798115e-01 -4.962798115e-01 5.04 -4.771820814e-01 -4.771820814e-01 5.06 -4.587014769e-01 -4.587014769e-01 5.08 -4.408606849e-01 -4.408606849e-01 5.10 -4.236751589e-01 -4.236751589e-01 5.12 -4.071524306e-01 -4.071524306e-01 5.14 -3.912919416e-01 -3.912919416e-01 5.16 -3.760853611e-01 -3.760853611e-01 5.18 -3.615173210e-01 -3.615173210e-01 5.20 -3.475664690e-01 -3.475664690e-01 5.22 -3.342067324e-01 -3.342067324e-01 5.24 -3.214086867e-01 -3.214086867e-01 5.26 -3.091409375e-01 -3.091409375e-01 5.28 -2.973714398e-01 -2.973714398e-01 5.30 -2.860686991e-01 -2.860686991e-01 5.32 -2.752028133e-01 -2.752028133e-01 5.34 -2.647463281e-01 -2.647463281e-01 5.36 -2.546748857e-01 -2.546748857e-01 5.38 -2.449676555e-01 -2.449676555e-01 5.40 -2.356075374e-01 -2.356075374e-01 5.42 -2.265811369e-01 -2.265811369e-01 5.44 -2.178785203e-01 -2.178785203e-01 5.46 -2.094927680e-01 -2.094927680e-01 5.48 -2.014193603e-01 -2.014193603e-01 5.50 -1.936554447e-01 -1.936554447e-01 5.52 -1.861990418e-01 -1.861990418e-01 5.54 -1.790482604e-01 -1.790482604e-01 5.56 -1.722005851e-01 -1.722005851e-01 5.58 -1.656522915e-01 -1.656522915e-01 5.60 -1.593980265e-01 -1.593980265e-01 5.62 -1.534303539e-01 -1.534303539e-01 5.64 -1.477399760e-01 -1.477399760e-01 5.66 -1.423162008e-01 -1.423162008e-01 5.68 -1.371466488e-01 -1.371466488e-01 5.70 -1.322175816e-01 -1.322175816e-01 5.72 -1.275142730e-01 -1.275142730e-01 5.74 -1.230213802e-01 -1.230213802e-01 5.76 -1.187232872e-01 -1.187232872e-01 5.78 -1.146044032e-01 -1.146044032e-01 5.80 -1.106494060e-01 -1.106494060e-01 5.82 -1.068434293e-01 -1.068434293e-01 5.84 -1.031721978e-01 -1.031721978e-01 5.86 -9.962211564e-02 -9.962211564e-02 5.88 -9.618031998e-02 -9.618031998e-02 5.90 -9.283470654e-02 -9.283470654e-02 5.92 -8.957393876e-02 -8.957393876e-02 5.94 -8.638744797e-02 -8.638744797e-02 5.96 -8.326543271e-02 -8.326543271e-02 5.98 -8.019886312e-02 -8.019886312e-02 6.00 -7.717949558e-02 -7.717949558e-02