# 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 = AgPbPd2 # 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 3.381366457e+02 3.381366457e+02 1.30 3.144757366e+02 3.144757366e+02 1.32 2.925037507e+02 2.925037507e+02 1.34 2.720871774e+02 2.720871774e+02 1.36 2.531040954e+02 2.531040954e+02 1.38 2.354434134e+02 2.354434134e+02 1.40 2.190042996e+02 2.190042996e+02 1.42 2.036951704e+02 2.036951704e+02 1.44 1.894324806e+02 1.894324806e+02 1.46 1.761398406e+02 1.761398406e+02 1.48 1.637472744e+02 1.637472744e+02 1.50 1.521902038e+02 1.521902038e+02 1.52 1.414083607e+02 1.414083607e+02 1.54 1.313451320e+02 1.313451320e+02 1.56 1.219475122e+02 1.219475122e+02 1.58 1.131663406e+02 1.131663406e+02 1.60 1.049564780e+02 1.049564780e+02 1.62 9.727675855e+01 9.727675855e+01 1.64 9.008976182e+01 9.008976182e+01 1.66 8.336149948e+01 8.336149948e+01 1.68 7.706717808e+01 7.706717808e+01 1.70 7.121176662e+01 7.121176662e+01 1.72 6.577074733e+01 6.577074733e+01 1.74 6.071429726e+01 6.071429726e+01 1.76 5.601437600e+01 5.601437600e+01 1.78 5.164485108e+01 5.164485108e+01 1.80 4.758165750e+01 4.758165750e+01 1.82 4.380283092e+01 4.380283092e+01 1.84 4.028839830e+01 4.028839830e+01 1.86 3.702013980e+01 3.702013980e+01 1.88 3.398131989e+01 3.398131989e+01 1.90 3.115644546e+01 3.115644546e+01 1.92 2.853110528e+01 2.853110528e+01 1.94 2.609186876e+01 2.609186876e+01 1.96 2.382621750e+01 2.382621750e+01 1.98 2.172246736e+01 2.172246736e+01 2.00 1.976967709e+01 1.976967709e+01 2.02 1.795756162e+01 1.795756162e+01 2.04 1.627642694e+01 1.627642694e+01 2.06 1.471713643e+01 1.471713643e+01 2.08 1.327110284e+01 1.327110284e+01 2.10 1.193029694e+01 1.193029694e+01 2.12 1.068725414e+01 1.068725414e+01 2.14 9.535072078e+00 9.535072078e+00 2.16 8.467392558e+00 8.467392558e+00 2.18 7.478370786e+00 7.478370786e+00 2.20 6.562635132e+00 6.562635132e+00 2.22 5.715246900e+00 5.715246900e+00 2.24 4.931660282e+00 4.931660282e+00 2.26 4.207684068e+00 4.207684068e+00 2.28 3.539440969e+00 3.539440969e+00 2.30 2.923330719e+00 2.923330719e+00 2.32 2.355986107e+00 2.355986107e+00 2.34 1.834237689e+00 1.834237689e+00 2.36 1.355079644e+00 1.355079644e+00 2.38 9.156473546e-01 9.156473546e-01 2.40 5.132058766e-01 5.132058766e-01 2.42 1.451485221e-01 1.451485221e-01 2.44 -1.909991784e-01 -1.909991784e-01 2.46 -4.975745657e-01 -4.975745657e-01 2.48 -7.767754503e-01 -7.767754503e-01 2.50 -1.030659839e+00 -1.030659839e+00 2.52 -1.261146061e+00 -1.261146061e+00 2.54 -1.470012533e+00 -1.470012533e+00 2.56 -1.658898567e+00 -1.658898567e+00 2.58 -1.829308493e+00 -1.829308493e+00 2.60 -1.982619884e+00 -1.982619884e+00 2.62 -2.120093751e+00 -2.120093751e+00 2.64 -2.242956550e+00 -2.242956550e+00 2.66 -2.352868429e+00 -2.352868429e+00 2.68 -2.450648751e+00 -2.450648751e+00 2.70 -2.536881529e+00 -2.536881529e+00 2.72 -2.612136339e+00 -2.612136339e+00 2.74 -2.676966601e+00 -2.676966601e+00 2.76 -2.731910280e+00 -2.731910280e+00 2.78 -2.777492330e+00 -2.777492330e+00 2.80 -2.814229780e+00 -2.814229780e+00 2.82 -2.842662015e+00 -2.842662015e+00 2.84 -2.863394996e+00 -2.863394996e+00 2.86 -2.877040411e+00 -2.877040411e+00 2.88 -2.884286758e+00 -2.884286758e+00 2.90 -2.885688318e+00 -2.885688318e+00 2.92 -2.881752142e+00 -2.881752142e+00 2.94 -2.872987036e+00 -2.872987036e+00 2.96 -2.859889378e+00 -2.859889378e+00 2.98 -2.842928835e+00 -2.842928835e+00 3.00 -2.822537182e+00 -2.822537182e+00 3.02 -2.799102453e+00 -2.799102453e+00 3.04 -2.772969563e+00 -2.772969563e+00 3.06 -2.744451567e+00 -2.744451567e+00 3.08 -2.713826835e+00 -2.713826835e+00 3.10 -2.681345576e+00 -2.681345576e+00 3.12 -2.647238811e+00 -2.647238811e+00 3.14 -2.611746310e+00 -2.611746310e+00 3.16 -2.575033111e+00 -2.575033111e+00 3.18 -2.537244035e+00 -2.537244035e+00 3.20 -2.498515208e+00 -2.498515208e+00 3.22 -2.458973014e+00 -2.458973014e+00 3.24 -2.418733206e+00 -2.418733206e+00 3.26 -2.377900535e+00 -2.377900535e+00 3.28 -2.336569127e+00 -2.336569127e+00 3.30 -2.294821741e+00 -2.294821741e+00 3.32 -2.252725899e+00 -2.252725899e+00 3.34 -2.210343769e+00 -2.210343769e+00 3.36 -2.167736466e+00 -2.167736466e+00 3.38 -2.124965228e+00 -2.124965228e+00 3.40 -2.082091877e+00 -2.082091877e+00 3.42 -2.039179453e+00 -2.039179453e+00 3.44 -1.996290659e+00 -1.996290659e+00 3.46 -1.953487681e+00 -1.953487681e+00 3.48 -1.910830940e+00 -1.910830940e+00 3.50 -1.868378019e+00 -1.868378019e+00 3.52 -1.826182725e+00 -1.826182725e+00 3.54 -1.784294341e+00 -1.784294341e+00 3.56 -1.742757137e+00 -1.742757137e+00 3.58 -1.701610130e+00 -1.701610130e+00 3.60 -1.660887090e+00 -1.660887090e+00 3.62 -1.620616751e+00 -1.620616751e+00 3.64 -1.580823184e+00 -1.580823184e+00 3.66 -1.541526254e+00 -1.541526254e+00 3.68 -1.502742105e+00 -1.502742105e+00 3.70 -1.464483587e+00 -1.464483587e+00 3.72 -1.426760584e+00 -1.426760584e+00 3.74 -1.389580212e+00 -1.389580212e+00 3.76 -1.352946905e+00 -1.352946905e+00 3.78 -1.316862450e+00 -1.316862450e+00 3.80 -1.281326040e+00 -1.281326040e+00 3.82 -1.246334435e+00 -1.246334435e+00 3.84 -1.211882294e+00 -1.211882294e+00 3.86 -1.177962682e+00 -1.177962682e+00 3.88 -1.144567744e+00 -1.144567744e+00 3.90 -1.111689494e+00 -1.111689494e+00 3.92 -1.079320315e+00 -1.079320315e+00 3.94 -1.047455260e+00 -1.047455260e+00 3.96 -1.016090568e+00 -1.016090568e+00 3.98 -9.852260164e-01 -9.852260164e-01 4.00 -9.548651134e-01 -9.548651134e-01 4.02 -9.250155698e-01 -9.250155698e-01 4.04 -8.956895413e-01 -8.956895413e-01 4.06 -8.669035741e-01 -8.669035741e-01 4.08 -8.386781776e-01 -8.386781776e-01 4.10 -8.110360088e-01 -8.110360088e-01 4.12 -7.840046789e-01 -7.840046789e-01 4.14 -7.576087755e-01 -7.576087755e-01 4.16 -7.318725786e-01 -7.318725786e-01 4.18 -7.068171146e-01 -7.068171146e-01 4.20 -6.824586256e-01 -6.824586256e-01 4.22 -6.588074470e-01 -6.588074470e-01 4.24 -6.358673984e-01 -6.358673984e-01 4.26 -6.136357026e-01 -6.136357026e-01 4.28 -5.921033566e-01 -5.921033566e-01 4.30 -5.712558143e-01 -5.712558143e-01 4.32 -5.510738228e-01 -5.510738228e-01 4.34 -5.315342656e-01 -5.315342656e-01 4.36 -5.126109151e-01 -5.126109151e-01 4.38 -4.942750526e-01 -4.942750526e-01 4.40 -4.764959669e-01 -4.764959669e-01 4.42 -4.592413776e-01 -4.592413776e-01 4.44 -4.424778451e-01 -4.424778451e-01 4.46 -4.261712249e-01 -4.261712249e-01 4.48 -4.102872055e-01 -4.102872055e-01 4.50 -3.947919509e-01 -3.947919509e-01 4.52 -3.796528439e-01 -3.796528439e-01 4.54 -3.648393137e-01 -3.648393137e-01 4.56 -3.503237157e-01 -3.503237157e-01 4.58 -3.360822264e-01 -3.360822264e-01 4.60 -3.220957079e-01 -3.220957079e-01 4.62 -3.083504875e-01 -3.083504875e-01 4.64 -2.948389940e-01 -2.948389940e-01 4.66 -2.815601825e-01 -2.815601825e-01 4.68 -2.685196837e-01 -2.685196837e-01 4.70 -2.557296158e-01 -2.557296158e-01 4.72 -2.432080203e-01 -2.432080203e-01 4.74 -2.309779118e-01 -2.309779118e-01 4.76 -2.190659715e-01 -2.190659715e-01 4.78 -2.075009639e-01 -2.075009639e-01 4.80 -1.963112172e-01 -1.963112172e-01 4.82 -1.855260860e-01 -1.855260860e-01 4.84 -1.751693036e-01 -1.751693036e-01 4.86 -1.652611572e-01 -1.652611572e-01 4.88 -1.558166217e-01 -1.558166217e-01 4.90 -1.468448450e-01 -1.468448450e-01 4.92 -1.383490727e-01 -1.383490727e-01 4.94 -1.303269473e-01 -1.303269473e-01 4.96 -1.227710887e-01 -1.227710887e-01 4.98 -1.156698481e-01 -1.156698481e-01 5.00 -1.090081450e-01 -1.090081450e-01 5.02 -1.027682938e-01 -1.027682938e-01 5.04 -9.693036302e-02 -9.693036302e-02 5.06 -9.147337970e-02 -9.147337970e-02 5.08 -8.637650385e-02 -8.637650385e-02 5.10 -8.161844046e-02 -8.161844046e-02 5.12 -7.717788358e-02 -7.717788358e-02 5.14 -7.303387220e-02 -7.303387220e-02 5.16 -6.916606511e-02 -6.916606511e-02 5.18 -6.555495193e-02 -6.555495193e-02 5.20 -6.218201299e-02 -6.218201299e-02 5.22 -5.902983120e-02 -5.902983120e-02 5.24 -5.608215865e-02 -5.608215865e-02 5.26 -5.332393948e-02 -5.332393948e-02 5.28 -5.074129166e-02 -5.074129166e-02 5.30 -4.832139794e-02 -4.832139794e-02 5.32 -4.605242571e-02 -4.605242571e-02 5.34 -4.392365949e-02 -4.392365949e-02 5.36 -4.192519448e-02 -4.192519448e-02 5.38 -4.004781907e-02 -4.004781907e-02 5.40 -3.828291604e-02 -3.828291604e-02 5.42 -3.662237724e-02 -3.662237724e-02 5.44 -3.505853693e-02 -3.505853693e-02 5.46 -3.358412231e-02 -3.358412231e-02 5.48 -3.219222065e-02 -3.219222065e-02 5.50 -3.087626020e-02 -3.087626020e-02 5.52 -2.963000131e-02 -2.963000131e-02 5.54 -2.844753415e-02 -2.844753415e-02 5.56 -2.732327972e-02 -2.732327972e-02 5.58 -2.625199152e-02 -2.625199152e-02 5.60 -2.522875611e-02 -2.522875611e-02 5.62 -2.424899133e-02 -2.424899133e-02 5.64 -2.330844318e-02 -2.330844318e-02 5.66 -2.240317935e-02 -2.240317935e-02 5.68 -2.152958100e-02 -2.152958100e-02 5.70 -2.068433398e-02 -2.068433398e-02 5.72 -1.986441983e-02 -1.986441983e-02 5.74 -1.906710752e-02 -1.906710752e-02 5.76 -1.828994644e-02 -1.828994644e-02 5.78 -1.753076121e-02 -1.753076121e-02 5.80 -1.678764850e-02 -1.678764850e-02 5.82 -1.605897605e-02 -1.605897605e-02 5.84 -1.534338341e-02 -1.534338341e-02 5.86 -1.463978418e-02 -1.463978418e-02 5.88 -1.394736872e-02 -1.394736872e-02 5.90 -1.326560662e-02 -1.326560662e-02 5.92 -1.259424742e-02 -1.259424742e-02 5.94 -1.193331245e-02 -1.193331245e-02 5.96 -1.128305893e-02 -1.128305893e-02 5.98 -1.064404642e-02 -1.064404642e-02 6.00 -1.001708423e-02 -1.001708423e-02