# 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 = AlCu2Mo # 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 1.301365538e+02 1.301365538e+02 1.30 1.201000752e+02 1.201000752e+02 1.32 1.108298817e+02 1.108298817e+02 1.34 1.022656825e+02 1.022656825e+02 1.36 9.434963926e+01 9.434963926e+01 1.38 8.702699318e+01 8.702699318e+01 1.40 8.024695007e+01 8.024695007e+01 1.42 7.396335840e+01 7.396335840e+01 1.44 6.813450888e+01 6.813450888e+01 1.46 6.272235875e+01 6.272235875e+01 1.48 5.769222028e+01 5.769222028e+01 1.50 5.301325779e+01 5.301325779e+01 1.52 4.865898592e+01 4.865898592e+01 1.54 4.460691480e+01 4.460691480e+01 1.56 4.083745428e+01 4.083745428e+01 1.58 3.733284012e+01 3.733284012e+01 1.60 3.407683933e+01 3.407683933e+01 1.62 3.105625183e+01 3.105625183e+01 1.64 2.825708789e+01 2.825708789e+01 1.66 2.566576616e+01 2.566576616e+01 1.68 2.327075754e+01 2.327075754e+01 1.70 2.105976087e+01 2.105976087e+01 1.72 1.902018548e+01 1.902018548e+01 1.74 1.713953996e+01 1.713953996e+01 1.76 1.540532502e+01 1.540532502e+01 1.78 1.380512322e+01 1.380512322e+01 1.80 1.232693876e+01 1.232693876e+01 1.82 1.095968149e+01 1.095968149e+01 1.84 9.693591839e+00 9.693591839e+00 1.86 8.520428712e+00 8.520428712e+00 1.88 7.433361674e+00 7.433361674e+00 1.90 6.426639424e+00 6.426639424e+00 1.92 5.495182539e+00 5.495182539e+00 1.94 4.634250743e+00 4.634250743e+00 1.96 3.839272367e+00 3.839272367e+00 1.98 3.105831892e+00 3.105831892e+00 2.00 2.429742103e+00 2.429742103e+00 2.02 1.807113204e+00 1.807113204e+00 2.04 1.234362220e+00 1.234362220e+00 2.06 7.081541782e-01 7.081541782e-01 2.08 2.253086192e-01 2.253086192e-01 2.10 -2.172781332e-01 -2.172781332e-01 2.12 -6.226594411e-01 -6.226594411e-01 2.14 -9.938099587e-01 -9.938099587e-01 2.16 -1.333564619e+00 -1.333564619e+00 2.18 -1.644555198e+00 -1.644555198e+00 2.20 -1.929167055e+00 -1.929167055e+00 2.22 -2.189525300e+00 -2.189525300e+00 2.24 -2.427508670e+00 -2.427508670e+00 2.26 -2.644783940e+00 -2.644783940e+00 2.28 -2.842851277e+00 -2.842851277e+00 2.30 -3.023065772e+00 -3.023065772e+00 2.32 -3.186568074e+00 -3.186568074e+00 2.34 -3.334685510e+00 -3.334685510e+00 2.36 -3.468653485e+00 -3.468653485e+00 2.38 -3.589531072e+00 -3.589531072e+00 2.40 -3.698201830e+00 -3.698201830e+00 2.42 -3.795398417e+00 -3.795398417e+00 2.44 -3.881746634e+00 -3.881746634e+00 2.46 -3.957789370e+00 -3.957789370e+00 2.48 -4.023899271e+00 -4.023899271e+00 2.50 -4.080446580e+00 -4.080446580e+00 2.52 -4.127876590e+00 -4.127876590e+00 2.54 -4.166698328e+00 -4.166698328e+00 2.56 -4.197470040e+00 -4.197470040e+00 2.58 -4.220783836e+00 -4.220783836e+00 2.60 -4.237248972e+00 -4.237248972e+00 2.62 -4.247472494e+00 -4.247472494e+00 2.64 -4.252202620e+00 -4.252202620e+00 2.66 -4.252648757e+00 -4.252648757e+00 2.68 -4.249376053e+00 -4.249376053e+00 2.70 -4.242587539e+00 -4.242587539e+00 2.72 -4.231993169e+00 -4.231993169e+00 2.74 -4.217376929e+00 -4.217376929e+00 2.76 -4.198582492e+00 -4.198582492e+00 2.78 -4.175496487e+00 -4.175496487e+00 2.80 -4.148044317e+00 -4.148044317e+00 2.82 -4.116192076e+00 -4.116192076e+00 2.84 -4.079923376e+00 -4.079923376e+00 2.86 -4.039263039e+00 -4.039263039e+00 2.88 -3.994280467e+00 -3.994280467e+00 2.90 -3.945074065e+00 -3.945074065e+00 2.92 -3.891782803e+00 -3.891782803e+00 2.94 -3.834597365e+00 -3.834597365e+00 2.96 -3.773768004e+00 -3.773768004e+00 2.98 -3.709608048e+00 -3.709608048e+00 3.00 -3.642492028e+00 -3.642492028e+00 3.02 -3.572847415e+00 -3.572847415e+00 3.04 -3.501139361e+00 -3.501139361e+00 3.06 -3.427848801e+00 -3.427848801e+00 3.08 -3.353445572e+00 -3.353445572e+00 3.10 -3.278360133e+00 -3.278360133e+00 3.12 -3.202958179e+00 -3.202958179e+00 3.14 -3.127522538e+00 -3.127522538e+00 3.16 -3.052245077e+00 -3.052245077e+00 3.18 -2.977229366e+00 -2.977229366e+00 3.20 -2.902502514e+00 -2.902502514e+00 3.22 -2.828033412e+00 -2.828033412e+00 3.24 -2.753754263e+00 -2.753754263e+00 3.26 -2.679582674e+00 -2.679582674e+00 3.28 -2.605442279e+00 -2.605442279e+00 3.30 -2.531280549e+00 -2.531280549e+00 3.32 -2.457082876e+00 -2.457082876e+00 3.34 -2.382882365e+00 -2.382882365e+00 3.36 -2.308764925e+00 -2.308764925e+00 3.38 -2.234869507e+00 -2.234869507e+00 3.40 -2.161383581e+00 -2.161383581e+00 3.42 -2.088534368e+00 -2.088534368e+00 3.44 -2.016576615e+00 -2.016576615e+00 3.46 -1.945778160e+00 -1.945778160e+00 3.48 -1.876404659e+00 -1.876404659e+00 3.50 -1.808704935e+00 -1.808704935e+00 3.52 -1.742898270e+00 -1.742898270e+00 3.54 -1.679164650e+00 -1.679164650e+00 3.56 -1.617638559e+00 -1.617638559e+00 3.58 -1.558406480e+00 -1.558406480e+00 3.60 -1.501507851e+00 -1.501507851e+00 3.62 -1.446938928e+00 -1.446938928e+00 3.64 -1.394658824e+00 -1.394658824e+00 3.66 -1.344596936e+00 -1.344596936e+00 3.68 -1.296661021e+00 -1.296661021e+00 3.70 -1.250745260e+00 -1.250745260e+00 3.72 -1.206737781e+00 -1.206737781e+00 3.74 -1.164527220e+00 -1.164527220e+00 3.76 -1.124007966e+00 -1.124007966e+00 3.78 -1.085083870e+00 -1.085083870e+00 3.80 -1.047670251e+00 -1.047670251e+00 3.82 -1.011694176e+00 -1.011694176e+00 3.84 -9.770931422e-01 -9.770931422e-01 3.86 -9.438124845e-01 -9.438124845e-01 3.88 -9.118019596e-01 -9.118019596e-01 3.90 -8.810120998e-01 -8.810120998e-01 3.92 -8.513908971e-01 -8.513908971e-01 3.94 -8.228813103e-01 -8.228813103e-01 3.96 -7.954198042e-01 -7.954198042e-01 3.98 -7.689360646e-01 -7.689360646e-01 4.00 -7.433536826e-01 -7.433536826e-01 4.02 -7.185915805e-01 -7.185915805e-01 4.04 -6.945658822e-01 -6.945658822e-01 4.06 -6.711919677e-01 -6.711919677e-01 4.08 -6.483865275e-01 -6.483865275e-01 4.10 -6.260695077e-01 -6.260695077e-01 4.12 -6.041659703e-01 -6.041659703e-01 4.14 -5.826077459e-01 -5.826077459e-01 4.16 -5.613350970e-01 -5.613350970e-01 4.18 -5.402982620e-01 -5.402982620e-01 4.20 -5.194589226e-01 -5.194589226e-01 4.22 -4.987915249e-01 -4.987915249e-01 4.24 -4.782843553e-01 -4.782843553e-01 4.26 -4.579402420e-01 -4.579402420e-01 4.28 -4.377767460e-01 -4.377767460e-01 4.30 -4.178257255e-01 -4.178257255e-01 4.32 -3.981321967e-01 -3.981321967e-01 4.34 -3.787524795e-01 -3.787524795e-01 4.36 -3.597516807e-01 -3.597516807e-01 4.38 -3.412006284e-01 -3.412006284e-01 4.40 -3.231724231e-01 -3.231724231e-01 4.42 -3.057387989e-01 -3.057387989e-01 4.44 -2.889665090e-01 -2.889665090e-01 4.46 -2.729139583e-01 -2.729139583e-01 4.48 -2.576282974e-01 -2.576282974e-01 4.50 -2.431431757e-01 -2.431431757e-01 4.52 -2.294773048e-01 -2.294773048e-01 4.54 -2.166339205e-01 -2.166339205e-01 4.56 -2.046011457e-01 -2.046011457e-01 4.58 -1.933531749e-01 -1.933531749e-01 4.60 -1.828521195e-01 -1.828521195e-01 4.62 -1.730502998e-01 -1.730502998e-01 4.64 -1.638927761e-01 -1.638927761e-01 4.66 -1.553199173e-01 -1.553199173e-01 4.68 -1.472698366e-01 -1.472698366e-01 4.70 -1.396805676e-01 -1.396805676e-01 4.72 -1.324917160e-01 -1.324917160e-01 4.74 -1.256465449e-01 -1.256465449e-01 4.76 -1.190930372e-01 -1.190930372e-01 4.78 -1.127845479e-01 -1.127845479e-01 4.80 -1.066811479e-01 -1.066811479e-01 4.82 -1.007496574e-01 -1.007496574e-01 4.84 -9.496397906e-02 -9.496397906e-02 4.86 -8.930532307e-02 -8.930532307e-02 4.88 -8.376217736e-02 -8.376217736e-02 4.90 -7.833005512e-02 -7.833005512e-02 4.92 -7.301100102e-02 -7.301100102e-02 4.94 -6.781285090e-02 -6.781285090e-02 4.96 -6.274825473e-02 -6.274825473e-02 4.98 -5.783349440e-02 -5.783349440e-02 5.00 -5.308715273e-02 -5.308715273e-02 5.02 -4.852871238e-02 -4.852871238e-02 5.04 -4.417717765e-02 -4.417717765e-02 5.06 -4.004981532e-02 -4.004981532e-02 5.08 -3.616110056e-02 -3.616110056e-02 5.10 -3.252193215e-02 -3.252193215e-02 5.12 -2.913915168e-02 -2.913915168e-02 5.14 -2.601536916e-02 -2.601536916e-02 5.16 -2.314906864e-02 -2.314906864e-02 5.18 -2.053494277e-02 -2.053494277e-02 5.20 -1.816439609e-02 -1.816439609e-02 5.22 -1.602615161e-02 -1.602615161e-02 5.24 -1.410689723e-02 -1.410689723e-02 5.26 -1.239189991e-02 -1.239189991e-02 5.28 -1.086535211e-02 -1.086535211e-02 5.30 -9.511551668e-03 -9.511551668e-03 5.32 -8.314975215e-03 -8.314975215e-03 5.34 -7.260479253e-03 -7.260479253e-03 5.36 -6.333581065e-03 -6.333581065e-03 5.38 -5.520652611e-03 -5.520652611e-03 5.40 -4.809041019e-03 -4.809041019e-03 5.42 -4.187129775e-03 -4.187129775e-03 5.44 -3.644353912e-03 -3.644353912e-03 5.46 -3.171181030e-03 -3.171181030e-03 5.48 -2.759068192e-03 -2.759068192e-03 5.50 -2.400402915e-03 -2.400402915e-03 5.52 -2.088434702e-03 -2.088434702e-03 5.54 -1.817202064e-03 -1.817202064e-03 5.56 -1.581458658e-03 -1.581458658e-03 5.58 -1.376601113e-03 -1.376601113e-03 5.60 -1.198600271e-03 -1.198600271e-03 5.62 -1.043936909e-03 -1.043936909e-03 5.64 -9.095425493e-04 -9.095425493e-04 5.66 -7.927455773e-04 -7.927455773e-04 5.68 -6.912226514e-04 -6.912226514e-04 5.70 -6.029552276e-04 -6.029552276e-04 5.72 -5.261908981e-04 -5.261908981e-04 5.74 -4.594091922e-04 -4.594091922e-04 5.76 -4.012914536e-04 -4.012914536e-04 5.78 -3.506944037e-04 -3.506944037e-04 5.80 -3.066270089e-04 -3.066270089e-04 5.82 -2.682302892e-04 -2.682302892e-04 5.84 -2.347597299e-04 -2.347597299e-04 5.86 -2.055699871e-04 -2.055699871e-04 5.88 -1.801016060e-04 -1.801016060e-04 5.90 -1.578695004e-04 -1.578695004e-04 5.92 -1.384529690e-04 -1.384529690e-04 5.94 -1.214870486e-04 -1.214870486e-04 5.96 -1.066550314e-04 -1.066550314e-04 5.98 -9.368198966e-05 -9.368198966e-05 6.00 -8.232917585e-05 -8.232917585e-05