# 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 = MgPb2Zr # 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 4.742339543e+02 4.742339543e+02 1.30 4.431058578e+02 4.431058578e+02 1.32 4.141543441e+02 4.141543441e+02 1.34 3.872075830e+02 3.872075830e+02 1.36 3.621080302e+02 3.621080302e+02 1.38 3.387125540e+02 3.387125540e+02 1.40 3.168919478e+02 3.168919478e+02 1.42 2.965299217e+02 2.965299217e+02 1.44 2.775214370e+02 2.775214370e+02 1.46 2.597701739e+02 2.597701739e+02 1.48 2.431862052e+02 2.431862052e+02 1.50 2.276852017e+02 2.276852017e+02 1.52 2.131889629e+02 2.131889629e+02 1.54 1.996258790e+02 1.996258790e+02 1.56 1.869306841e+02 1.869306841e+02 1.58 1.750435463e+02 1.750435463e+02 1.60 1.639091599e+02 1.639091599e+02 1.62 1.534761841e+02 1.534761841e+02 1.64 1.436970722e+02 1.436970722e+02 1.66 1.345279797e+02 1.345279797e+02 1.68 1.259285909e+02 1.259285909e+02 1.70 1.178617622e+02 1.178617622e+02 1.72 1.102929978e+02 1.102929978e+02 1.74 1.031899592e+02 1.031899592e+02 1.76 9.652218596e+01 9.652218596e+01 1.78 9.026107916e+01 9.026107916e+01 1.80 8.438030693e+01 8.438030693e+01 1.82 7.885498520e+01 7.885498520e+01 1.84 7.366313593e+01 7.366313593e+01 1.86 6.879313398e+01 6.879313398e+01 1.88 6.422675119e+01 6.422675119e+01 1.90 5.994482353e+01 5.994482353e+01 1.92 5.592937851e+01 5.592937851e+01 1.94 5.216342603e+01 5.216342603e+01 1.96 4.863093389e+01 4.863093389e+01 1.98 4.531684733e+01 4.531684733e+01 2.00 4.220710523e+01 4.220710523e+01 2.02 3.928862214e+01 3.928862214e+01 2.04 3.654925323e+01 3.654925323e+01 2.06 3.397776258e+01 3.397776258e+01 2.08 3.156378924e+01 3.156378924e+01 2.10 2.929781453e+01 2.929781453e+01 2.12 2.717107448e+01 2.717107448e+01 2.14 2.517545289e+01 2.517545289e+01 2.16 2.330335785e+01 2.330335785e+01 2.18 2.154761677e+01 2.154761677e+01 2.20 1.990141498e+01 1.990141498e+01 2.22 1.835826295e+01 1.835826295e+01 2.24 1.691199117e+01 1.691199117e+01 2.26 1.555675979e+01 1.555675979e+01 2.28 1.428705996e+01 1.428705996e+01 2.30 1.309773163e+01 1.309773163e+01 2.32 1.198394118e+01 1.198394118e+01 2.34 1.094115244e+01 1.094115244e+01 2.36 9.965091018e+00 9.965091018e+00 2.38 9.051705091e+00 9.051705091e+00 2.40 8.197135189e+00 8.197135189e+00 2.42 7.397694727e+00 7.397694727e+00 2.44 6.649873910e+00 6.649873910e+00 2.46 5.950353200e+00 5.950353200e+00 2.48 5.296029143e+00 5.296029143e+00 2.50 4.684035470e+00 4.684035470e+00 2.52 4.111748184e+00 4.111748184e+00 2.54 3.576770269e+00 3.576770269e+00 2.56 3.076891706e+00 3.076891706e+00 2.58 2.610020112e+00 2.610020112e+00 2.60 2.174298462e+00 2.174298462e+00 2.62 1.767987798e+00 1.767987798e+00 2.64 1.389430707e+00 1.389430707e+00 2.66 1.037048449e+00 1.037048449e+00 2.68 7.093320411e-01 7.093320411e-01 2.70 4.048386537e-01 4.048386537e-01 2.72 1.221886827e-01 1.221886827e-01 2.74 -1.398940866e-01 -1.398940866e-01 2.76 -3.825258779e-01 -3.825258779e-01 2.78 -6.067693265e-01 -6.067693265e-01 2.80 -8.136546391e-01 -8.136546391e-01 2.82 -1.004162202e+00 -1.004162202e+00 2.84 -1.179227413e+00 -1.179227413e+00 2.86 -1.339737433e+00 -1.339737433e+00 2.88 -1.486532214e+00 -1.486532214e+00 2.90 -1.620406776e+00 -1.620406776e+00 2.92 -1.742114058e+00 -1.742114058e+00 2.94 -1.852367869e+00 -1.852367869e+00 2.96 -1.951845682e+00 -1.951845682e+00 2.98 -2.041191231e+00 -2.041191231e+00 3.00 -2.121016994e+00 -2.121016994e+00 3.02 -2.191906683e+00 -2.191906683e+00 3.04 -2.254415485e+00 -2.254415485e+00 3.06 -2.309083224e+00 -2.309083224e+00 3.08 -2.356420961e+00 -2.356420961e+00 3.10 -2.396925796e+00 -2.396925796e+00 3.12 -2.431078153e+00 -2.431078153e+00 3.14 -2.459351737e+00 -2.459351737e+00 3.16 -2.482199906e+00 -2.482199906e+00 3.18 -2.500063326e+00 -2.500063326e+00 3.20 -2.513363984e+00 -2.513363984e+00 3.22 -2.522501182e+00 -2.522501182e+00 3.24 -2.527848090e+00 -2.527848090e+00 3.26 -2.529749808e+00 -2.529749808e+00 3.28 -2.528523205e+00 -2.528523205e+00 3.30 -2.524458099e+00 -2.524458099e+00 3.32 -2.517818904e+00 -2.517818904e+00 3.34 -2.508845967e+00 -2.508845967e+00 3.36 -2.497756337e+00 -2.497756337e+00 3.38 -2.484744221e+00 -2.484744221e+00 3.40 -2.469980523e+00 -2.469980523e+00 3.42 -2.453619115e+00 -2.453619115e+00 3.44 -2.435791223e+00 -2.435791223e+00 3.46 -2.416613653e+00 -2.416613653e+00 3.48 -2.396224334e+00 -2.396224334e+00 3.50 -2.374735692e+00 -2.374735692e+00 3.52 -2.352184591e+00 -2.352184591e+00 3.54 -2.328611356e+00 -2.328611356e+00 3.56 -2.304059825e+00 -2.304059825e+00 3.58 -2.278576720e+00 -2.278576720e+00 3.60 -2.252221797e+00 -2.252221797e+00 3.62 -2.225048661e+00 -2.225048661e+00 3.64 -2.197099041e+00 -2.197099041e+00 3.66 -2.168418990e+00 -2.168418990e+00 3.68 -2.139052026e+00 -2.139052026e+00 3.70 -2.109038478e+00 -2.109038478e+00 3.72 -2.078426386e+00 -2.078426386e+00 3.74 -2.047271838e+00 -2.047271838e+00 3.76 -2.015638762e+00 -2.015638762e+00 3.78 -1.983598229e+00 -1.983598229e+00 3.80 -1.951218611e+00 -1.951218611e+00 3.82 -1.918563192e+00 -1.918563192e+00 3.84 -1.885702890e+00 -1.885702890e+00 3.86 -1.852714563e+00 -1.852714563e+00 3.88 -1.819677856e+00 -1.819677856e+00 3.90 -1.786671606e+00 -1.786671606e+00 3.92 -1.753768683e+00 -1.753768683e+00 3.94 -1.721038843e+00 -1.721038843e+00 3.96 -1.688536520e+00 -1.688536520e+00 3.98 -1.656306332e+00 -1.656306332e+00 4.00 -1.624381170e+00 -1.624381170e+00 4.02 -1.592783182e+00 -1.592783182e+00 4.04 -1.561525485e+00 -1.561525485e+00 4.06 -1.530614230e+00 -1.530614230e+00 4.08 -1.500050662e+00 -1.500050662e+00 4.10 -1.469827139e+00 -1.469827139e+00 4.12 -1.439952859e+00 -1.439952859e+00 4.14 -1.410416726e+00 -1.410416726e+00 4.16 -1.381214858e+00 -1.381214858e+00 4.18 -1.352343900e+00 -1.352343900e+00 4.20 -1.323801231e+00 -1.323801231e+00 4.22 -1.295585046e+00 -1.295585046e+00 4.24 -1.267694352e+00 -1.267694352e+00 4.26 -1.240128944e+00 -1.240128944e+00 4.28 -1.212889369e+00 -1.212889369e+00 4.30 -1.185976904e+00 -1.185976904e+00 4.32 -1.159393533e+00 -1.159393533e+00 4.34 -1.133141939e+00 -1.133141939e+00 4.36 -1.107225488e+00 -1.107225488e+00 4.38 -1.081648196e+00 -1.081648196e+00 4.40 -1.056414680e+00 -1.056414680e+00 4.42 -1.031530079e+00 -1.031530079e+00 4.44 -1.006999947e+00 -1.006999947e+00 4.46 -9.828301225e-01 -9.828301225e-01 4.48 -9.590265710e-01 -9.590265710e-01 4.50 -9.355952194e-01 -9.355952194e-01 4.52 -9.125417837e-01 -9.125417837e-01 4.54 -8.898716014e-01 -8.898716014e-01 4.56 -8.675894785e-01 -8.675894785e-01 4.58 -8.456995556e-01 -8.456995556e-01 4.60 -8.242052008e-01 -8.242052008e-01 4.62 -8.031089308e-01 -8.031089308e-01 4.64 -7.824123625e-01 -7.824123625e-01 4.66 -7.621161926e-01 -7.621161926e-01 4.68 -7.422202046e-01 -7.422202046e-01 4.70 -7.227232967e-01 -7.227232967e-01 4.72 -7.036235282e-01 -7.036235282e-01 4.74 -6.849181771e-01 -6.849181771e-01 4.76 -6.666038055e-01 -6.666038055e-01 4.78 -6.486763261e-01 -6.486763261e-01 4.80 -6.311265193e-01 -6.311265193e-01 4.82 -6.139590370e-01 -6.139590370e-01 4.84 -5.971627861e-01 -5.971627861e-01 4.86 -5.807317010e-01 -5.807317010e-01 4.88 -5.646593323e-01 -5.646593323e-01 4.90 -5.489388870e-01 -5.489388870e-01 4.92 -5.335632669e-01 -5.335632669e-01 4.94 -5.185251095e-01 -5.185251095e-01 4.96 -5.038168333e-01 -5.038168333e-01 4.98 -4.894306905e-01 -4.894306905e-01 5.00 -4.753588291e-01 -4.753588291e-01 5.02 -4.615933654e-01 -4.615933654e-01 5.04 -4.481264673e-01 -4.481264673e-01 5.06 -4.349504474e-01 -4.349504474e-01 5.08 -4.220578640e-01 -4.220578640e-01 5.10 -4.094416267e-01 -4.094416267e-01 5.12 -3.970951022e-01 -3.970951022e-01 5.14 -3.850122149e-01 -3.850122149e-01 5.16 -3.731875365e-01 -3.731875365e-01 5.18 -3.616163580e-01 -3.616163580e-01 5.20 -3.502947403e-01 -3.502947403e-01 5.22 -3.392195377e-01 -3.392195377e-01 5.24 -3.283883938e-01 -3.283883938e-01 5.26 -3.177997115e-01 -3.177997115e-01 5.28 -3.074525985e-01 -3.074525985e-01 5.30 -2.973467962e-01 -2.973467962e-01 5.32 -2.874825970e-01 -2.874825970e-01 5.34 -2.778607554e-01 -2.778607554e-01 5.36 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