# 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 = AgFeNi2 # 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 1.615432335e+02 1.615432335e+02 1.30 1.480510552e+02 1.480510552e+02 1.32 1.356589232e+02 1.356589232e+02 1.34 1.242676566e+02 1.242676566e+02 1.36 1.137896052e+02 1.137896052e+02 1.38 1.041485937e+02 1.041485937e+02 1.40 9.527764749e+01 9.527764749e+01 1.42 8.711645995e+01 8.711645995e+01 1.44 7.960961663e+01 7.960961663e+01 1.46 7.270554704e+01 7.270554704e+01 1.48 6.635605971e+01 6.635605971e+01 1.50 6.051633828e+01 6.051633828e+01 1.52 5.514514819e+01 5.514514819e+01 1.54 5.020490320e+01 5.020490320e+01 1.56 4.566134488e+01 4.566134488e+01 1.58 4.148295904e+01 4.148295904e+01 1.60 3.764050310e+01 3.764050310e+01 1.62 3.410771489e+01 3.410771489e+01 1.64 3.086101983e+01 3.086101983e+01 1.66 2.787775428e+01 2.787775428e+01 1.68 2.513705852e+01 2.513705852e+01 1.70 2.261950943e+01 2.261950943e+01 1.72 2.030686505e+01 2.030686505e+01 1.74 1.818198094e+01 1.818198094e+01 1.76 1.622888974e+01 1.622888974e+01 1.78 1.443298680e+01 1.443298680e+01 1.80 1.278120754e+01 1.278120754e+01 1.82 1.126207966e+01 1.126207966e+01 1.84 9.865594801e+00 9.865594801e+00 1.86 8.582924998e+00 8.582924998e+00 1.88 7.406072409e+00 7.406072409e+00 1.90 6.327555536e+00 6.327555536e+00 1.92 5.340199231e+00 5.340199231e+00 1.94 4.437045950e+00 4.437045950e+00 1.96 3.611370685e+00 3.611370685e+00 1.98 2.856761361e+00 2.856761361e+00 2.00 2.167217448e+00 2.167217448e+00 2.02 1.537227593e+00 1.537227593e+00 2.04 9.618079752e-01 9.618079752e-01 2.06 4.365016680e-01 4.365016680e-01 2.08 -4.265258989e-02 -4.265258989e-02 2.10 -4.791724231e-01 -4.791724231e-01 2.12 -8.761954577e-01 -8.761954577e-01 2.14 -1.236546743e+00 -1.236546743e+00 2.16 -1.562803925e+00 -1.562803925e+00 2.18 -1.857355744e+00 -1.857355744e+00 2.20 -2.122450432e+00 -2.122450432e+00 2.22 -2.360231353e+00 -2.360231353e+00 2.24 -2.572758590e+00 -2.572758590e+00 2.26 -2.762018150e+00 -2.762018150e+00 2.28 -2.929923884e+00 -2.929923884e+00 2.30 -3.078317609e+00 -3.078317609e+00 2.32 -3.208967681e+00 -3.208967681e+00 2.34 -3.323559182e+00 -3.323559182e+00 2.36 -3.423668539e+00 -3.423668539e+00 2.38 -3.510726443e+00 -3.510726443e+00 2.40 -3.585976660e+00 -3.585976660e+00 2.42 -3.650467882e+00 -3.650467882e+00 2.44 -3.705068994e+00 -3.705068994e+00 2.46 -3.750505145e+00 -3.750505145e+00 2.48 -3.787402780e+00 -3.787402780e+00 2.50 -3.816330876e+00 -3.816330876e+00 2.52 -3.837779932e+00 -3.837779932e+00 2.54 -3.851944578e+00 -3.851944578e+00 2.56 -3.858987905e+00 -3.858987905e+00 2.58 -3.859149828e+00 -3.859149828e+00 2.60 -3.852731971e+00 -3.852731971e+00 2.62 -3.840083185e+00 -3.840083185e+00 2.64 -3.821595926e+00 -3.821595926e+00 2.66 -3.797793607e+00 -3.797793607e+00 2.68 -3.768933486e+00 -3.768933486e+00 2.70 -3.735182419e+00 -3.735182419e+00 2.72 -3.696776097e+00 -3.696776097e+00 2.74 -3.654011492e+00 -3.654011492e+00 2.76 -3.607232013e+00 -3.607232013e+00 2.78 -3.556808986e+00 -3.556808986e+00 2.80 -3.503130128e+00 -3.503130128e+00 2.82 -3.446576298e+00 -3.446576298e+00 2.84 -3.387498177e+00 -3.387498177e+00 2.86 -3.326210878e+00 -3.326210878e+00 2.88 -3.262995181e+00 -3.262995181e+00 2.90 -3.198102173e+00 -3.198102173e+00 2.92 -3.131758613e+00 -3.131758613e+00 2.94 -3.064171510e+00 -3.064171510e+00 2.96 -2.995531621e+00 -2.995531621e+00 2.98 -2.926016253e+00 -2.926016253e+00 3.00 -2.855791819e+00 -2.855791819e+00 3.02 -2.785016289e+00 -2.785016289e+00 3.04 -2.713841375e+00 -2.713841375e+00 3.06 -2.642414151e+00 -2.642414151e+00 3.08 -2.570877904e+00 -2.570877904e+00 3.10 -2.499372416e+00 -2.499372416e+00 3.12 -2.428034109e+00 -2.428034109e+00 3.14 -2.356996652e+00 -2.356996652e+00 3.16 -2.286392396e+00 -2.286392396e+00 3.18 -2.216354573e+00 -2.216354573e+00 3.20 -2.147019754e+00 -2.147019754e+00 3.22 -2.078529772e+00 -2.078529772e+00 3.24 -2.011032299e+00 -2.011032299e+00 3.26 -1.944679530e+00 -1.944679530e+00 3.28 -1.879624843e+00 -1.879624843e+00 3.30 -1.816017693e+00 -1.816017693e+00 3.32 -1.753997434e+00 -1.753997434e+00 3.34 -1.693686892e+00 -1.693686892e+00 3.36 -1.635186611e+00 -1.635186611e+00 3.38 -1.578570528e+00 -1.578570528e+00 3.40 -1.523883527e+00 -1.523883527e+00 3.42 -1.471141077e+00 -1.471141077e+00 3.44 -1.420330750e+00 -1.420330750e+00 3.46 -1.371415281e+00 -1.371415281e+00 3.48 -1.324336634e+00 -1.324336634e+00 3.50 -1.279020572e+00 -1.279020572e+00 3.52 -1.235381251e+00 -1.235381251e+00 3.54 -1.193325503e+00 -1.193325503e+00 3.56 -1.152756570e+00 -1.152756570e+00 3.58 -1.113577191e+00 -1.113577191e+00 3.60 -1.075692034e+00 -1.075692034e+00 3.62 -1.039009531e+00 -1.039009531e+00 3.64 -1.003443264e+00 -1.003443264e+00 3.66 -9.689130136e-01 -9.689130136e-01 3.68 -9.353456533e-01 -9.353456533e-01 3.70 -9.026760015e-01 -9.026760015e-01 3.72 -8.708477276e-01 -8.708477276e-01 3.74 -8.398143327e-01 -8.398143327e-01 3.76 -8.095401444e-01 -8.095401444e-01 3.78 -7.800011761e-01 -7.800011761e-01 3.80 -7.511856232e-01 -7.511856232e-01 3.82 -7.230937212e-01 -7.230937212e-01 3.84 -6.957367127e-01 -6.957367127e-01 3.86 -6.691347626e-01 -6.691347626e-01 3.88 -6.433138345e-01 -6.433138345e-01 3.90 -6.183017622e-01 -6.183017622e-01 3.92 -5.941239514e-01 -5.941239514e-01 3.94 -5.707992796e-01 -5.707992796e-01 3.96 -5.483367471e-01 -5.483367471e-01 3.98 -5.267333119e-01 -5.267333119e-01 4.00 -5.059730916e-01 -5.059730916e-01 4.02 -4.860278745e-01 -4.860278745e-01 4.04 -4.668586768e-01 -4.668586768e-01 4.06 -4.484179722e-01 -4.484179722e-01 4.08 -4.306522135e-01 -4.306522135e-01 4.10 -4.135043312e-01 -4.135043312e-01 4.12 -3.969160051e-01 -3.969160051e-01 4.14 -3.808295876e-01 -3.808295876e-01 4.16 -3.651896869e-01 -3.651896869e-01 4.18 -3.499444305e-01 -3.499444305e-01 4.20 -3.350464847e-01 -3.350464847e-01 4.22 -3.204538975e-01 -3.204538975e-01 4.24 -3.061308259e-01 -3.061308259e-01 4.26 -2.920481858e-01 -2.920481858e-01 4.28 -2.781842419e-01 -2.781842419e-01 4.30 -2.645251334e-01 -2.645251334e-01 4.32 -2.510653108e-01 -2.510653108e-01 4.34 -2.378078407e-01 -2.378078407e-01 4.36 -2.247645178e-01 -2.247645178e-01 4.38 -2.119557061e-01 -2.119557061e-01 4.40 -1.994098225e-01 -1.994098225e-01 4.42 -1.871623758e-01 -1.871623758e-01 4.44 -1.752545000e-01 -1.752545000e-01 4.46 -1.637309679e-01 -1.637309679e-01 4.48 -1.526377473e-01 -1.526377473e-01 4.50 -1.420192486e-01 -1.420192486e-01 4.52 -1.319154953e-01 -1.319154953e-01 4.54 -1.223594953e-01 -1.223594953e-01 4.56 -1.133750957e-01 -1.133750957e-01 4.58 -1.049755459e-01 -1.049755459e-01 4.60 -9.716289736e-02 -9.716289736e-02 4.62 -8.992825163e-02 -8.992825163e-02 4.64 -8.325275556e-02 -8.325275556e-02 4.66 -7.710916214e-02 -7.710916214e-02 4.68 -7.146373331e-02 -7.146373331e-02 4.70 -6.627827532e-02 -6.627827532e-02 4.72 -6.151210623e-02 -6.151210623e-02 4.74 -5.712348104e-02 -5.712348104e-02 4.76 -5.307156136e-02 -5.307156136e-02 4.78 -4.931834134e-02 -4.931834134e-02 4.80 -4.582851623e-02 -4.582851623e-02 4.82 -4.257010297e-02 -4.257010297e-02 4.84 -3.951492368e-02 -3.951492368e-02 4.86 -3.663884937e-02 -3.663884937e-02 4.88 -3.392184411e-02 -3.392184411e-02 4.90 -3.134785270e-02 -3.134785270e-02 4.92 -2.890456023e-02 -2.890456023e-02 4.94 -2.658304513e-02 -2.658304513e-02 4.96 -2.437734442e-02 -2.437734442e-02 4.98 -2.228395148e-02 -2.228395148e-02 5.00 -2.030126666e-02 -2.030126666e-02 5.02 -1.842902682e-02 -1.842902682e-02 5.04 -1.666774279e-02 -1.666774279e-02 5.06 -1.501817526e-02 -1.501817526e-02 5.08 -1.348077219e-02 -1.348077219e-02 5.10 -1.205532544e-02 -1.205532544e-02 5.12 -1.074111923e-02 -1.074111923e-02 5.14 -9.536416587e-03 -9.536416587e-03 5.16 -8.438397199e-03 -8.438397199e-03 5.18 -7.443205372e-03 -7.443205372e-03 5.20 -6.546069469e-03 -6.546069469e-03 5.22 -5.741469954e-03 -5.741469954e-03 5.24 -5.023333423e-03 -5.023333423e-03 5.26 -4.385232736e-03 -4.385232736e-03 5.28 -3.820577490e-03 -3.820577490e-03 5.30 -3.322783725e-03 -3.322783725e-03 5.32 -2.885416316e-03 -2.885416316e-03 5.34 -2.502301371e-03 -2.502301371e-03 5.36 -2.167608944e-03 -2.167608944e-03 5.38 -1.875908471e-03 -1.875908471e-03 5.40 -1.622200525e-03 -1.622200525e-03 5.42 -1.401929060e-03 -1.401929060e-03 5.44 -1.210978338e-03 -1.210978338e-03 5.46 -1.045658445e-03 -1.045658445e-03 5.48 -9.026828152e-04 -9.026828152e-04 5.50 -7.791406246e-04 -7.791406246e-04 5.52 -6.724663465e-04 -6.724663465e-04 5.54 -5.804082265e-04 -5.804082265e-04 5.56 -5.009969828e-04 -5.009969828e-04 5.58 -4.325156411e-04 -4.325156411e-04 5.60 -3.734711093e-04 -3.734711093e-04 5.62 -3.225678520e-04 -3.225678520e-04 5.64 -2.786838418e-04 -2.786838418e-04 5.66 -2.408488332e-04 -2.408488332e-04 5.68 -2.082249119e-04 -2.082249119e-04 5.70 -1.800892095e-04 -1.800892095e-04 5.72 -1.558186389e-04 -1.558186389e-04 5.74 -1.348764821e-04 -1.348764821e-04 5.76 -1.168006570e-04 -1.168006570e-04 5.78 -1.011934890e-04 -1.011934890e-04 5.80 -8.771282330e-05 -8.771282330e-05 5.82 -7.606431927e-05 -7.606431927e-05 5.84 -6.599478513e-05 -6.599478513e-05 5.86 -5.728642217e-05 -5.728642217e-05 5.88 -4.975186146e-05 -4.975186146e-05 5.90 -4.322988910e-05 -4.322988910e-05 5.92 -3.758176787e-05 -3.758176787e-05 5.94 -3.268807449e-05 -3.268807449e-05 5.96 -2.844598185e-05 -2.844598185e-05 5.98 -2.476692459e-05 -2.476692459e-05 6.00 -2.157459464e-05 -2.157459464e-05