# 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 = NiPbPd2 # 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 2.946084894e+02 2.946084894e+02 1.30 2.736922533e+02 2.736922533e+02 1.32 2.542768346e+02 2.542768346e+02 1.34 2.362462835e+02 2.362462835e+02 1.36 2.194937221e+02 2.194937221e+02 1.38 2.039204355e+02 2.039204355e+02 1.40 1.894358621e+02 1.894358621e+02 1.42 1.759571330e+02 1.759571330e+02 1.44 1.634082063e+02 1.634082063e+02 1.46 1.517193327e+02 1.517193327e+02 1.48 1.408268580e+02 1.408268580e+02 1.50 1.306727800e+02 1.306727800e+02 1.52 1.212038147e+02 1.212038147e+02 1.54 1.123702997e+02 1.123702997e+02 1.56 1.041255094e+02 1.041255094e+02 1.58 9.642553950e+01 9.642553950e+01 1.60 8.922955703e+01 8.922955703e+01 1.62 8.250009323e+01 8.250009323e+01 1.64 7.620317855e+01 7.620317855e+01 1.66 7.030823223e+01 7.030823223e+01 1.68 6.480017866e+01 6.480017866e+01 1.70 5.968438382e+01 5.968438382e+01 1.72 5.493522217e+01 5.493522217e+01 1.74 5.052702490e+01 5.052702490e+01 1.76 4.643583892e+01 4.643583892e+01 1.78 4.263930228e+01 4.263930228e+01 1.80 3.911659001e+01 3.911659001e+01 1.82 3.584834964e+01 3.584834964e+01 1.84 3.281662175e+01 3.281662175e+01 1.86 3.000471540e+01 3.000471540e+01 1.88 2.739707208e+01 2.739707208e+01 1.90 2.497913440e+01 2.497913440e+01 1.92 2.273727436e+01 2.273727436e+01 1.94 2.065877290e+01 2.065877290e+01 1.96 1.873183519e+01 1.873183519e+01 1.98 1.694558724e+01 1.694558724e+01 2.00 1.529002967e+01 1.529002967e+01 2.02 1.375595381e+01 1.375595381e+01 2.04 1.233484173e+01 1.233484173e+01 2.06 1.101877837e+01 1.101877837e+01 2.08 9.800390260e+00 9.800390260e+00 2.10 8.672816062e+00 8.672816062e+00 2.12 7.629691772e+00 7.629691772e+00 2.14 6.665141087e+00 6.665141087e+00 2.16 5.773757264e+00 5.773757264e+00 2.18 4.950573731e+00 4.950573731e+00 2.20 4.191023534e+00 4.191023534e+00 2.22 3.490896190e+00 3.490896190e+00 2.24 2.846293030e+00 2.846293030e+00 2.26 2.253584148e+00 2.253584148e+00 2.28 1.709363631e+00 1.709363631e+00 2.30 1.210412611e+00 1.210412611e+00 2.32 7.536588435e-01 7.536588435e-01 2.34 3.361533955e-01 3.361533955e-01 2.36 -4.494275006e-02 -4.494275006e-02 2.38 -3.923527417e-01 -3.923527417e-01 2.40 -7.086657260e-01 -7.086657260e-01 2.42 -9.963155240e-01 -9.963155240e-01 2.44 -1.257566194e+00 -1.257566194e+00 2.46 -1.494508614e+00 -1.494508614e+00 2.48 -1.709066451e+00 -1.709066451e+00 2.50 -1.903005334e+00 -1.903005334e+00 2.52 -2.077940362e+00 -2.077940362e+00 2.54 -2.235338016e+00 -2.235338016e+00 2.56 -2.376519990e+00 -2.376519990e+00 2.58 -2.502671635e+00 -2.502671635e+00 2.60 -2.614854262e+00 -2.614854262e+00 2.62 -2.714072452e+00 -2.714072452e+00 2.64 -2.801787693e+00 -2.801787693e+00 2.66 -2.878703996e+00 -2.878703996e+00 2.68 -2.945255462e+00 -2.945255462e+00 2.70 -3.001800227e+00 -3.001800227e+00 2.72 -3.048725505e+00 -3.048725505e+00 2.74 -3.086464106e+00 -3.086464106e+00 2.76 -3.115481546e+00 -3.115481546e+00 2.78 -3.136263105e+00 -3.136263105e+00 2.80 -3.149324837e+00 -3.149324837e+00 2.82 -3.155251530e+00 -3.155251530e+00 2.84 -3.154624115e+00 -3.154624115e+00 2.86 -3.148005816e+00 -3.148005816e+00 2.88 -3.135947525e+00 -3.135947525e+00 2.90 -3.118991246e+00 -3.118991246e+00 2.92 -3.097668974e+00 -3.097668974e+00 2.94 -3.072495992e+00 -3.072495992e+00 2.96 -3.043959810e+00 -3.043959810e+00 2.98 -3.012507819e+00 -3.012507819e+00 3.00 -2.978537348e+00 -2.978537348e+00 3.02 -2.942390937e+00 -2.942390937e+00 3.04 -2.904357177e+00 -2.904357177e+00 3.06 -2.864679890e+00 -2.864679890e+00 3.08 -2.823563861e+00 -2.823563861e+00 3.10 -2.781195935e+00 -2.781195935e+00 3.12 -2.737766386e+00 -2.737766386e+00 3.14 -2.693400801e+00 -2.693400801e+00 3.16 -2.648216091e+00 -2.648216091e+00 3.18 -2.602333453e+00 -2.602333453e+00 3.20 -2.555875802e+00 -2.555875802e+00 3.22 -2.508964819e+00 -2.508964819e+00 3.24 -2.461717559e+00 -2.461717559e+00 3.26 -2.414243326e+00 -2.414243326e+00 3.28 -2.366638524e+00 -2.366638524e+00 3.30 -2.318981510e+00 -2.318981510e+00 3.32 -2.271341830e+00 -2.271341830e+00 3.34 -2.223782219e+00 -2.223782219e+00 3.36 -2.176359688e+00 -2.176359688e+00 3.38 -2.129126538e+00 -2.129126538e+00 3.40 -2.082130934e+00 -2.082130934e+00 3.42 -2.035417927e+00 -2.035417927e+00 3.44 -1.989028423e+00 -1.989028423e+00 3.46 -1.942999756e+00 -1.942999756e+00 3.48 -1.897365230e+00 -1.897365230e+00 3.50 -1.852153918e+00 -1.852153918e+00 3.52 -1.807390586e+00 -1.807390586e+00 3.54 -1.763095773e+00 -1.763095773e+00 3.56 -1.719286057e+00 -1.719286057e+00 3.58 -1.675974454e+00 -1.675974454e+00 3.60 -1.633170936e+00 -1.633170936e+00 3.62 -1.590883025e+00 -1.590883025e+00 3.64 -1.549116426e+00 -1.549116426e+00 3.66 -1.507875665e+00 -1.507875665e+00 3.68 -1.467164725e+00 -1.467164725e+00 3.70 -1.426987643e+00 -1.426987643e+00 3.72 -1.387349076e+00 -1.387349076e+00 3.74 -1.348254819e+00 -1.348254819e+00 3.76 -1.309712286e+00 -1.309712286e+00 3.78 -1.271730933e+00 -1.271730933e+00 3.80 -1.234322613e+00 -1.234322613e+00 3.82 -1.197501776e+00 -1.197501776e+00 3.84 -1.161285452e+00 -1.161285452e+00 3.86 -1.125692894e+00 -1.125692894e+00 3.88 -1.090744851e+00 -1.090744851e+00 3.90 -1.056462486e+00 -1.056462486e+00 3.92 -1.022865725e+00 -1.022865725e+00 3.94 -9.899734710e-01 -9.899734710e-01 3.96 -9.578002523e-01 -9.578002523e-01 3.98 -9.263573680e-01 -9.263573680e-01 4.00 -8.956525309e-01 -8.956525309e-01 4.02 -8.656904897e-01 -8.656904897e-01 4.04 -8.364740029e-01 -8.364740029e-01 4.06 -8.080048906e-01 -8.080048906e-01 4.08 -7.802848732e-01 -7.802848732e-01 4.10 -7.533149890e-01 -7.533149890e-01 4.12 -7.270994888e-01 -7.270994888e-01 4.14 -7.016386718e-01 -7.016386718e-01 4.16 -6.769322110e-01 -6.769322110e-01 4.18 -6.529765807e-01 -6.529765807e-01 4.20 -6.297637529e-01 -6.297637529e-01 4.22 -6.072802278e-01 -6.072802278e-01 4.24 -5.855065867e-01 -5.855065867e-01 4.26 -5.644176557e-01 -5.644176557e-01 4.28 -5.439832599e-01 -5.439832599e-01 4.30 -5.241694601e-01 -5.241694601e-01 4.32 -5.049401067e-01 -5.049401067e-01 4.34 -4.862585179e-01 -4.862585179e-01 4.36 -4.680891022e-01 -4.680891022e-01 4.38 -4.503987646e-01 -4.503987646e-01 4.40 -4.331579790e-01 -4.331579790e-01 4.42 -4.163414514e-01 -4.163414514e-01 4.44 -3.999283472e-01 -3.999283472e-01 4.46 -3.839021044e-01 -3.839021044e-01 4.48 -3.682499078e-01 -3.682499078e-01 4.50 -3.529619375e-01 -3.529619375e-01 4.52 -3.380305408e-01 -3.380305408e-01 4.54 -3.234494833e-01 -3.234494833e-01 4.56 -3.092134177e-01 -3.092134177e-01 4.58 -2.953176691e-01 -2.953176691e-01 4.60 -2.817583707e-01 -2.817583707e-01 4.62 -2.685329170e-01 -2.685329170e-01 4.64 -2.556406384e-01 -2.556406384e-01 4.66 -2.430835547e-01 -2.430835547e-01 4.68 -2.308670424e-01 -2.308670424e-01 4.70 -2.190002610e-01 -2.190002610e-01 4.72 -2.074962099e-01 -2.074962099e-01 4.74 -1.963713444e-01 -1.963713444e-01 4.76 -1.856447423e-01 -1.856447423e-01 4.78 -1.753368779e-01 -1.753368779e-01 4.80 -1.654673502e-01 -1.654673502e-01 4.82 -1.560564898e-01 -1.560564898e-01 4.84 -1.471187805e-01 -1.471187805e-01 4.86 -1.386650469e-01 -1.386650469e-01 4.88 -1.307005767e-01 -1.307005767e-01 4.90 -1.232245932e-01 -1.232245932e-01 4.92 -1.162301921e-01 -1.162301921e-01 4.94 -1.097046918e-01 -1.097046918e-01 4.96 -1.036303169e-01 -1.036303169e-01 4.98 -9.798511287e-02 -9.798511287e-02 5.00 -9.274399086e-02 -9.274399086e-02 5.02 -8.787979934e-02 -8.787979934e-02 5.04 -8.336388854e-02 -8.336388854e-02 5.06 -7.916775953e-02 -7.916775953e-02 5.08 -7.526421025e-02 -7.526421025e-02 5.10 -7.162700741e-02 -7.162700741e-02 5.12 -6.823142801e-02 -6.823142801e-02 5.14 -6.505462658e-02 -6.505462658e-02 5.16 -6.207584870e-02 -6.207584870e-02 5.18 -5.927651791e-02 -5.927651791e-02 5.20 -5.664022225e-02 -5.664022225e-02 5.22 -5.415262223e-02 -5.415262223e-02 5.24 -5.180129997e-02 -5.180129997e-02 5.26 -4.957556696e-02 -4.957556696e-02 5.28 -4.746624546e-02 -4.746624546e-02 5.30 -4.546539344e-02 -4.546539344e-02 5.32 -4.356607513e-02 -4.356607513e-02 5.34 -4.176232711e-02 -4.176232711e-02 5.36 -4.004880180e-02 -4.004880180e-02 5.38 -3.842058664e-02 -3.842058664e-02 5.40 -3.687306462e-02 -3.687306462e-02 5.42 -3.540180720e-02 -3.540180720e-02 5.44 -3.400249942e-02 -3.400249942e-02 5.46 -3.267089421e-02 -3.267089421e-02 5.48 -3.140279142e-02 -3.140279142e-02 5.50 -3.019403625e-02 -3.019403625e-02 5.52 -2.904053116e-02 -2.904053116e-02 5.54 -2.793825620e-02 -2.793825620e-02 5.56 -2.688329318e-02 -2.688329318e-02 5.58 -2.587185017e-02 -2.587185017e-02 5.60 -2.490028387e-02 -2.490028387e-02 5.62 -2.396511867e-02 -2.396511867e-02 5.64 -2.306306247e-02 -2.306306247e-02 5.66 -2.219101731e-02 -2.219101731e-02 5.68 -2.134608711e-02 -2.134608711e-02 5.70 -2.052558297e-02 -2.052558297e-02 5.72 -1.972702678e-02 -1.972702678e-02 5.74 -1.894815402e-02 -1.894815402e-02 5.76 -1.818691655e-02 -1.818691655e-02 5.78 -1.744148599e-02 -1.744148599e-02 5.80 -1.671025810e-02 -1.671025810e-02 5.82 -1.599185826e-02 -1.599185826e-02 5.84 -1.528514797e-02 -1.528514797e-02 5.86 -1.458923192e-02 -1.458923192e-02 5.88 -1.390346510e-02 -1.390346510e-02 5.90 -1.322745882e-02 -1.322745882e-02 5.92 -1.256108470e-02 -1.256108470e-02 5.94 -1.190446801e-02 -1.190446801e-02 5.96 -1.125795718e-02 -1.125795718e-02 5.98 -1.062219124e-02 -1.062219124e-02 6.00 -9.998046543e-03 -9.998046543e-03