# 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 = AlPbPd2 # 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 2.772958838e+02 2.772958838e+02 1.30 2.583741016e+02 2.583741016e+02 1.32 2.407715330e+02 2.407715330e+02 1.34 2.243850631e+02 2.243850631e+02 1.36 2.091198959e+02 2.091198959e+02 1.38 1.948887699e+02 1.948887699e+02 1.40 1.816123308e+02 1.816123308e+02 1.42 1.692192732e+02 1.692192732e+02 1.44 1.576458575e+02 1.576458575e+02 1.46 1.468350813e+02 1.468350813e+02 1.48 1.367353058e+02 1.367353058e+02 1.50 1.272983382e+02 1.272983382e+02 1.52 1.184778822e+02 1.184778822e+02 1.54 1.102291630e+02 1.102291630e+02 1.56 1.025095369e+02 1.025095369e+02 1.58 9.527930542e+01 9.527930542e+01 1.60 8.850222971e+01 8.850222971e+01 1.62 8.214565687e+01 8.214565687e+01 1.64 7.618039331e+01 7.618039331e+01 1.66 7.058099370e+01 7.058099370e+01 1.68 6.534858475e+01 6.534858475e+01 1.70 6.047664023e+01 6.047664023e+01 1.72 5.594260474e+01 5.594260474e+01 1.74 5.172283688e+01 5.172283688e+01 1.76 4.779415693e+01 4.779415693e+01 1.78 4.413479829e+01 4.413479829e+01 1.80 4.072471856e+01 4.072471856e+01 1.82 3.754573164e+01 3.754573164e+01 1.84 3.458146787e+01 3.458146787e+01 1.86 3.181719556e+01 3.181719556e+01 1.88 2.923960510e+01 2.923960510e+01 1.90 2.683660144e+01 2.683660144e+01 1.92 2.459713557e+01 2.459713557e+01 1.94 2.251104339e+01 2.251104339e+01 1.96 2.056887602e+01 2.056887602e+01 1.98 1.876171931e+01 1.876171931e+01 2.00 1.708104231e+01 1.708104231e+01 2.02 1.551861320e+01 1.551861320e+01 2.04 1.406648892e+01 1.406648892e+01 2.06 1.271705762e+01 1.271705762e+01 2.08 1.146309959e+01 1.146309959e+01 2.10 1.029784122e+01 1.029784122e+01 2.12 9.214985844e+00 9.214985844e+00 2.14 8.208721304e+00 8.208721304e+00 2.16 7.273706576e+00 7.273706576e+00 2.18 6.405045699e+00 6.405045699e+00 2.20 5.598253624e+00 5.598253624e+00 2.22 4.849222899e+00 4.849222899e+00 2.24 4.154190103e+00 4.154190103e+00 2.26 3.509703106e+00 3.509703106e+00 2.28 2.912586366e+00 2.912586366e+00 2.30 2.359908627e+00 2.359908627e+00 2.32 1.848945638e+00 1.848945638e+00 2.34 1.377150083e+00 1.377150083e+00 2.36 9.421214007e-01 9.421214007e-01 2.38 5.415847656e-01 5.415847656e-01 2.40 1.733781384e-01 1.733781384e-01 2.42 -1.645529376e-01 -1.645529376e-01 2.44 -4.741569533e-01 -4.741569533e-01 2.46 -7.572783688e-01 -7.572783688e-01 2.48 -1.015663610e+00 -1.015663610e+00 2.50 -1.250970935e+00 -1.250970935e+00 2.52 -1.464781955e+00 -1.464781955e+00 2.54 -1.658612253e+00 -1.658612253e+00 2.56 -1.833919544e+00 -1.833919544e+00 2.58 -1.992108172e+00 -1.992108172e+00 2.60 -2.134527977e+00 -2.134527977e+00 2.62 -2.262464794e+00 -2.262464794e+00 2.64 -2.377125667e+00 -2.377125667e+00 2.66 -2.479650932e+00 -2.479650932e+00 2.68 -2.571592096e+00 -2.571592096e+00 2.70 -2.653735699e+00 -2.653735699e+00 2.72 -2.726835874e+00 -2.726835874e+00 2.74 -2.791712604e+00 -2.791712604e+00 2.76 -2.848498641e+00 -2.848498641e+00 2.78 -2.897340806e+00 -2.897340806e+00 2.80 -2.938418205e+00 -2.938418205e+00 2.82 -2.971943800e+00 -2.971943800e+00 2.84 -2.998171657e+00 -2.998171657e+00 2.86 -3.017442005e+00 -3.017442005e+00 2.88 -3.030157840e+00 -3.030157840e+00 2.90 -3.036751858e+00 -3.036751858e+00 2.92 -3.037682568e+00 -3.037682568e+00 2.94 -3.033415241e+00 -3.033415241e+00 2.96 -3.024411454e+00 -3.024411454e+00 2.98 -3.011119555e+00 -3.011119555e+00 3.00 -2.993967955e+00 -2.993967955e+00 3.02 -2.973362452e+00 -2.973362452e+00 3.04 -2.949686417e+00 -2.949686417e+00 3.06 -2.923304804e+00 -2.923304804e+00 3.08 -2.894561723e+00 -2.894561723e+00 3.10 -2.863781368e+00 -2.863781368e+00 3.12 -2.831263242e+00 -2.831263242e+00 3.14 -2.797280975e+00 -2.797280975e+00 3.16 -2.762074468e+00 -2.762074468e+00 3.18 -2.725851918e+00 -2.725851918e+00 3.20 -2.688792935e+00 -2.688792935e+00 3.22 -2.651072191e+00 -2.651072191e+00 3.24 -2.612793913e+00 -2.612793913e+00 3.26 -2.574032814e+00 -2.574032814e+00 3.28 -2.534850400e+00 -2.534850400e+00 3.30 -2.495298297e+00 -2.495298297e+00 3.32 -2.455421548e+00 -2.455421548e+00 3.34 -2.415261679e+00 -2.415261679e+00 3.36 -2.374859266e+00 -2.374859266e+00 3.38 -2.334255752e+00 -2.334255752e+00 3.40 -2.293492083e+00 -2.293492083e+00 3.42 -2.252606345e+00 -2.252606345e+00 3.44 -2.211639458e+00 -2.211639458e+00 3.46 -2.170635771e+00 -2.170635771e+00 3.48 -2.129641741e+00 -2.129641741e+00 3.50 -2.088704632e+00 -2.088704632e+00 3.52 -2.047871214e+00 -2.047871214e+00 3.54 -2.007186566e+00 -2.007186566e+00 3.56 -1.966693055e+00 -1.966693055e+00 3.58 -1.926429537e+00 -1.926429537e+00 3.60 -1.886430815e+00 -1.886430815e+00 3.62 -1.846727344e+00 -1.846727344e+00 3.64 -1.807345147e+00 -1.807345147e+00 3.66 -1.768305920e+00 -1.768305920e+00 3.68 -1.729627242e+00 -1.729627242e+00 3.70 -1.691322834e+00 -1.691322834e+00 3.72 -1.653402807e+00 -1.653402807e+00 3.74 -1.615873874e+00 -1.615873874e+00 3.76 -1.578739507e+00 -1.578739507e+00 3.78 -1.542000085e+00 -1.542000085e+00 3.80 -1.505653092e+00 -1.505653092e+00 3.82 -1.469693409e+00 -1.469693409e+00 3.84 -1.434113758e+00 -1.434113758e+00 3.86 -1.398905294e+00 -1.398905294e+00 3.88 -1.364058340e+00 -1.364058340e+00 3.90 -1.329563196e+00 -1.329563196e+00 3.92 -1.295410626e+00 -1.295410626e+00 3.94 -1.261594218e+00 -1.261594218e+00 3.96 -1.228108756e+00 -1.228108756e+00 3.98 -1.194952617e+00 -1.194952617e+00 4.00 -1.162127913e+00 -1.162127913e+00 4.02 -1.129640952e+00 -1.129640952e+00 4.04 -1.097502505e+00 -1.097502505e+00 4.06 -1.065727842e+00 -1.065727842e+00 4.08 -1.034336475e+00 -1.034336475e+00 4.10 -1.003350631e+00 -1.003350631e+00 4.12 -9.727983972e-01 -9.727983972e-01 4.14 -9.427063357e-01 -9.427063357e-01 4.16 -9.131027406e-01 -9.131027406e-01 4.18 -8.840153623e-01 -8.840153623e-01 4.20 -8.554705223e-01 -8.554705223e-01 4.22 -8.274925390e-01 -8.274925390e-01 4.24 -8.001034761e-01 -8.001034761e-01 4.26 -7.733231286e-01 -7.733231286e-01 4.28 -7.471690920e-01 -7.471690920e-01 4.30 -7.216567372e-01 -7.216567372e-01 4.32 -6.967989423e-01 -6.967989423e-01 4.34 -6.726055174e-01 -6.726055174e-01 4.36 -6.490823551e-01 -6.490823551e-01 4.38 -6.262304391e-01 -6.262304391e-01 4.40 -6.040448995e-01 -6.040448995e-01 4.42 -5.825143116e-01 -5.825143116e-01 4.44 -5.616203987e-01 -5.616203987e-01 4.46 -5.413382287e-01 -5.413382287e-01 4.48 -5.216369128e-01 -5.216369128e-01 4.50 -5.024807459e-01 -5.024807459e-01 4.52 -4.838306835e-01 -4.838306835e-01 4.54 -4.656460260e-01 -4.656460260e-01 4.56 -4.478861867e-01 -4.478861867e-01 4.58 -4.305124334e-01 -4.305124334e-01 4.60 -4.134895116e-01 -4.134895116e-01 4.62 -3.967870762e-01 -3.967870762e-01 4.64 -3.803808687e-01 -3.803808687e-01 4.66 -3.642535871e-01 -3.642535871e-01 4.68 -3.483953989e-01 -3.483953989e-01 4.70 -3.328040621e-01 -3.328040621e-01 4.72 -3.174846329e-01 -3.174846329e-01 4.74 -3.024487709e-01 -3.024487709e-01 4.76 -2.877136833e-01 -2.877136833e-01 4.78 -2.733007920e-01 -2.733007920e-01 4.80 -2.592334621e-01 -2.592334621e-01 4.82 -2.455387195e-01 -2.455387195e-01 4.84 -2.322407887e-01 -2.322407887e-01 4.86 -2.193634394e-01 -2.193634394e-01 4.88 -2.069281854e-01 -2.069281854e-01 4.90 -1.949537214e-01 -1.949537214e-01 4.92 -1.834556527e-01 -1.834556527e-01 4.94 -1.724464409e-01 -1.724464409e-01 4.96 -1.619354703e-01 -1.619354703e-01 4.98 -1.519291392e-01 -1.519291392e-01 5.00 -1.424309290e-01 -1.424309290e-01 5.02 -1.334414105e-01 -1.334414105e-01 5.04 -1.249579343e-01 -1.249579343e-01 5.06 -1.169746107e-01 -1.169746107e-01 5.08 -1.094834576e-01 -1.094834576e-01 5.10 -1.024732182e-01 -1.024732182e-01 5.12 -9.592952300e-02 -9.592952300e-02 5.14 -8.983522346e-02 -8.983522346e-02 5.16 -8.417081590e-02 -8.417081590e-02 5.18 -7.891493676e-02 -7.891493676e-02 5.20 -7.404490569e-02 -7.404490569e-02 5.22 -6.953727047e-02 -6.953727047e-02 5.24 -6.536832037e-02 -6.536832037e-02 5.26 -6.151453841e-02 -6.151453841e-02 5.28 -5.795297281e-02 -5.795297281e-02 5.30 -5.466146475e-02 -5.466146475e-02 5.32 -5.161884514e-02 -5.161884514e-02 5.34 -4.880528058e-02 -4.880528058e-02 5.36 -4.620212983e-02 -4.620212983e-02 5.38 -4.379193794e-02 -4.379193794e-02 5.40 -4.155840796e-02 -4.155840796e-02 5.42 -3.948635328e-02 -3.948635328e-02 5.44 -3.756164137e-02 -3.756164137e-02 5.46 -3.577113402e-02 -3.577113402e-02 5.48 -3.410263306e-02 -3.410263306e-02 5.50 -3.254482976e-02 -3.254482976e-02 5.52 -3.108725862e-02 -3.108725862e-02 5.54 -2.972025480e-02 -2.972025480e-02 5.56 -2.843491400e-02 -2.843491400e-02 5.58 -2.722305356e-02 -2.722305356e-02 5.60 -2.607717405e-02 -2.607717405e-02 5.62 -2.499042094e-02 -2.499042094e-02 5.64 -2.395654600e-02 -2.395654600e-02 5.66 -2.296987084e-02 -2.296987084e-02 5.68 -2.202524967e-02 -2.202524967e-02 5.70 -2.111803434e-02 -2.111803434e-02 5.72 -2.024404208e-02 -2.024404208e-02 5.74 -1.939952648e-02 -1.939952648e-02 5.76 -1.858115197e-02 -1.858115197e-02 5.78 -1.778597227e-02 -1.778597227e-02 5.80 -1.701141281e-02 -1.701141281e-02 5.82 -1.625525695e-02 -1.625525695e-02 5.84 -1.551563567e-02 -1.551563567e-02 5.86 -1.479101992e-02 -1.479101992e-02 5.88 -1.408021488e-02 -1.408021488e-02 5.90 -1.338235490e-02 -1.338235490e-02 5.92 -1.269689772e-02 -1.269689772e-02 5.94 -1.202361378e-02 -1.202361378e-02 5.96 -1.136253896e-02 -1.136253896e-02 5.98 -1.071403470e-02 -1.071403470e-02 6.00 -1.007874319e-02 -1.007874319e-02