# 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 = AlPb2Pt # 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 3.354806342e+02 3.354806342e+02 1.30 3.140837127e+02 3.140837127e+02 1.32 2.940921703e+02 2.940921703e+02 1.34 2.754052662e+02 2.754052662e+02 1.36 2.579291674e+02 2.579291674e+02 1.38 2.415726144e+02 2.415726144e+02 1.40 2.262484087e+02 2.262484087e+02 1.42 2.118781066e+02 2.118781066e+02 1.44 1.983953057e+02 1.983953057e+02 1.46 1.857447377e+02 1.857447377e+02 1.48 1.738778327e+02 1.738778327e+02 1.50 1.627477941e+02 1.627477941e+02 1.52 1.523067090e+02 1.523067090e+02 1.54 1.425053211e+02 1.425053211e+02 1.56 1.332947280e+02 1.332947280e+02 1.58 1.246286836e+02 1.246286836e+02 1.60 1.164653931e+02 1.164653931e+02 1.62 1.087682516e+02 1.087682516e+02 1.64 1.015055850e+02 1.015055850e+02 1.66 9.464982069e+01 9.464982069e+01 1.68 8.817666103e+01 8.817666103e+01 1.70 8.206447551e+01 8.206447551e+01 1.72 7.629593470e+01 7.629593470e+01 1.74 7.090177740e+01 7.090177740e+01 1.76 6.588232710e+01 6.588232710e+01 1.78 6.121149754e+01 6.121149754e+01 1.80 5.686236134e+01 5.686236134e+01 1.82 5.280914981e+01 5.280914981e+01 1.84 4.902802529e+01 4.902802529e+01 1.86 4.549750504e+01 4.549750504e+01 1.88 4.219866357e+01 4.219866357e+01 1.90 3.911511065e+01 3.911511065e+01 1.92 3.623274924e+01 3.623274924e+01 1.94 3.353929834e+01 3.353929834e+01 1.96 3.102368203e+01 3.102368203e+01 1.98 2.867543900e+01 2.867543900e+01 2.00 2.648434527e+01 2.648434527e+01 2.02 2.444031117e+01 2.444031117e+01 2.04 2.253346981e+01 2.253346981e+01 2.06 2.075433484e+01 2.075433484e+01 2.08 1.909394099e+01 1.909394099e+01 2.10 1.754392396e+01 1.754392396e+01 2.12 1.609654554e+01 1.609654554e+01 2.14 1.474467790e+01 1.474467790e+01 2.16 1.348176831e+01 1.348176831e+01 2.18 1.230180376e+01 1.230180376e+01 2.20 1.119927420e+01 1.119927420e+01 2.22 1.016914087e+01 1.016914087e+01 2.24 9.206798618e+00 9.206798618e+00 2.26 8.308033445e+00 8.308033445e+00 2.28 7.468978554e+00 7.468978554e+00 2.30 6.686063791e+00 6.686063791e+00 2.32 5.955970432e+00 5.955970432e+00 2.34 5.275590262e+00 5.275590262e+00 2.36 4.641985577e+00 4.641985577e+00 2.38 4.052357823e+00 4.052357823e+00 2.40 3.504024362e+00 3.504024362e+00 2.42 2.994407278e+00 2.994407278e+00 2.44 2.521033473e+00 2.521033473e+00 2.46 2.081546443e+00 2.081546443e+00 2.48 1.673721652e+00 1.673721652e+00 2.50 1.295479063e+00 1.295479063e+00 2.52 9.444241055e-01 9.444241055e-01 2.54 6.179759889e-01 6.179759889e-01 2.56 3.147764912e-01 3.147764912e-01 2.58 3.356067308e-02 3.356067308e-02 2.60 -2.268899126e-01 -2.268899126e-01 2.62 -4.677513469e-01 -4.677513469e-01 2.64 -6.901597888e-01 -6.901597888e-01 2.66 -8.952006029e-01 -8.952006029e-01 2.68 -1.083904934e+00 -1.083904934e+00 2.70 -1.257241826e+00 -1.257241826e+00 2.72 -1.416113819e+00 -1.416113819e+00 2.74 -1.561355729e+00 -1.561355729e+00 2.76 -1.693736463e+00 -1.693736463e+00 2.78 -1.813963023e+00 -1.813963023e+00 2.80 -1.922687285e+00 -1.922687285e+00 2.82 -2.020512338e+00 -2.020512338e+00 2.84 -2.108002528e+00 -2.108002528e+00 2.86 -2.186041248e+00 -2.186041248e+00 2.88 -2.255426341e+00 -2.255426341e+00 2.90 -2.316476199e+00 -2.316476199e+00 2.92 -2.369549567e+00 -2.369549567e+00 2.94 -2.415052237e+00 -2.415052237e+00 2.96 -2.453437553e+00 -2.453437553e+00 2.98 -2.485200053e+00 -2.485200053e+00 3.00 -2.510862054e+00 -2.510862054e+00 3.02 -2.530955301e+00 -2.530955301e+00 3.04 -2.546005448e+00 -2.546005448e+00 3.06 -2.556522491e+00 -2.556522491e+00 3.08 -2.562973296e+00 -2.562973296e+00 3.10 -2.565776084e+00 -2.565776084e+00 3.12 -2.565298252e+00 -2.565298252e+00 3.14 -2.561865146e+00 -2.561865146e+00 3.16 -2.555757294e+00 -2.555757294e+00 3.18 -2.547222069e+00 -2.547222069e+00 3.20 -2.536476913e+00 -2.536476913e+00 3.22 -2.523712653e+00 -2.523712653e+00 3.24 -2.509095546e+00 -2.509095546e+00 3.26 -2.492768749e+00 -2.492768749e+00 3.28 -2.474854023e+00 -2.474854023e+00 3.30 -2.455454270e+00 -2.455454270e+00 3.32 -2.434656985e+00 -2.434656985e+00 3.34 -2.412538340e+00 -2.412538340e+00 3.36 -2.389167368e+00 -2.389167368e+00 3.38 -2.364622811e+00 -2.364622811e+00 3.40 -2.339009153e+00 -2.339009153e+00 3.42 -2.312372307e+00 -2.312372307e+00 3.44 -2.284788137e+00 -2.284788137e+00 3.46 -2.256339703e+00 -2.256339703e+00 3.48 -2.227109937e+00 -2.227109937e+00 3.50 -2.197181194e+00 -2.197181194e+00 3.52 -2.166634456e+00 -2.166634456e+00 3.54 -2.135548423e+00 -2.135548423e+00 3.56 -2.103998665e+00 -2.103998665e+00 3.58 -2.072056751e+00 -2.072056751e+00 3.60 -2.039786497e+00 -2.039786497e+00 3.62 -2.007238825e+00 -2.007238825e+00 3.64 -1.974461452e+00 -1.974461452e+00 3.66 -1.941499935e+00 -1.941499935e+00 3.68 -1.908397789e+00 -1.908397789e+00 3.70 -1.875196551e+00 -1.875196551e+00 3.72 -1.841935720e+00 -1.841935720e+00 3.74 -1.808652484e+00 -1.808652484e+00 3.76 -1.775381251e+00 -1.775381251e+00 3.78 -1.742153038e+00 -1.742153038e+00 3.80 -1.708994842e+00 -1.708994842e+00 3.82 -1.675929129e+00 -1.675929129e+00 3.84 -1.642973563e+00 -1.642973563e+00 3.86 -1.610141050e+00 -1.610141050e+00 3.88 -1.577440089e+00 -1.577440089e+00 3.90 -1.544875399e+00 -1.544875399e+00 3.92 -1.512448187e+00 -1.512448187e+00 3.94 -1.480159371e+00 -1.480159371e+00 3.96 -1.448006958e+00 -1.448006958e+00 3.98 -1.415989580e+00 -1.415989580e+00 4.00 -1.384106853e+00 -1.384106853e+00 4.02 -1.352360439e+00 -1.352360439e+00 4.04 -1.320755159e+00 -1.320755159e+00 4.06 -1.289300125e+00 -1.289300125e+00 4.08 -1.258009876e+00 -1.258009876e+00 4.10 -1.226903653e+00 -1.226903653e+00 4.12 -1.196013444e+00 -1.196013444e+00 4.14 -1.165372910e+00 -1.165372910e+00 4.16 -1.135025225e+00 -1.135025225e+00 4.18 -1.105020053e+00 -1.105020053e+00 4.20 -1.075411901e+00 -1.075411901e+00 4.22 -1.046257791e+00 -1.046257791e+00 4.24 -1.017614419e+00 -1.017614419e+00 4.26 -9.895350623e-01 -9.895350623e-01 4.28 -9.620665550e-01 -9.620665550e-01 4.30 -9.352466463e-01 -9.352466463e-01 4.32 -9.091019938e-01 -9.091019938e-01 4.34 -8.836469471e-01 -8.836469471e-01 4.36 -8.588831654e-01 -8.588831654e-01 4.38 -8.348000124e-01 -8.348000124e-01 4.40 -8.113755910e-01 -8.113755910e-01 4.42 -7.885782399e-01 -7.885782399e-01 4.44 -7.663682971e-01 -7.663682971e-01 4.46 -7.446999541e-01 -7.446999541e-01 4.48 -7.235230557e-01 -7.235230557e-01 4.50 -7.027847477e-01 -7.027847477e-01 4.52 -6.824309192e-01 -6.824309192e-01 4.54 -6.624074303e-01 -6.624074303e-01 4.56 -6.426611520e-01 -6.426611520e-01 4.58 -6.231408639e-01 -6.231408639e-01 4.60 -6.037980732e-01 -6.037980732e-01 4.62 -5.845878118e-01 -5.845878118e-01 4.64 -5.654694661e-01 -5.654694661e-01 4.66 -5.464076715e-01 -5.464076715e-01 4.68 -5.273732836e-01 -5.273732836e-01 4.70 -5.083444099e-01 -5.083444099e-01 4.72 -4.893074559e-01 -4.893074559e-01 4.74 -4.702581112e-01 -4.702581112e-01 4.76 -4.512021808e-01 -4.512021808e-01 4.78 -4.321561516e-01 -4.321561516e-01 4.80 -4.131460015e-01 -4.131460015e-01 4.82 -3.942126763e-01 -3.942126763e-01 4.84 -3.754023284e-01 -3.754023284e-01 4.86 -3.567712374e-01 -3.567712374e-01 4.88 -3.383823686e-01 -3.383823686e-01 4.90 -3.203031722e-01 -3.203031722e-01 4.92 -3.026031251e-01 -3.026031251e-01 4.94 -2.853511706e-01 -2.853511706e-01 4.96 -2.686132158e-01 -2.686132158e-01 4.98 -2.524498340e-01 -2.524498340e-01 5.00 -2.369142945e-01 -2.369142945e-01 5.02 -2.220510081e-01 -2.220510081e-01 5.04 -2.078944488e-01 -2.078944488e-01 5.06 -1.944685743e-01 -1.944685743e-01 5.08 -1.817867430e-01 -1.817867430e-01 5.10 -1.698520923e-01 -1.698520923e-01 5.12 -1.586583197e-01 -1.586583197e-01 5.14 -1.481907828e-01 -1.481907828e-01 5.16 -1.384278222e-01 -1.384278222e-01 5.18 -1.293422007e-01 -1.293422007e-01 5.20 -1.209025579e-01 -1.209025579e-01 5.22 -1.130747882e-01 -1.130747882e-01 5.24 -1.058232752e-01 -1.058232752e-01 5.26 -9.911191888e-02 -9.911191888e-02 5.28 -9.290495621e-02 -9.290495621e-02 5.30 -8.716756569e-02 -8.716756569e-02 5.32 -8.186626932e-02 -8.186626932e-02 5.34 -7.696915253e-02 -7.696915253e-02 5.36 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