# 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 = CoPb2Ta # 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 3.972592360e+02 3.972592360e+02 1.30 3.707989318e+02 3.707989318e+02 1.32 3.462126639e+02 3.462126639e+02 1.34 3.233551927e+02 3.233551927e+02 1.36 3.020881888e+02 3.020881888e+02 1.38 2.822819711e+02 2.822819711e+02 1.40 2.638178573e+02 2.638178573e+02 1.42 2.465893961e+02 2.465893961e+02 1.44 2.305018781e+02 2.305018781e+02 1.46 2.154707356e+02 2.154707356e+02 1.48 2.014197848e+02 2.014197848e+02 1.50 1.882799380e+02 1.882799380e+02 1.52 1.759884113e+02 1.759884113e+02 1.54 1.644880187e+02 1.644880187e+02 1.56 1.537260955e+02 1.537260955e+02 1.58 1.436533371e+02 1.436533371e+02 1.60 1.342230351e+02 1.342230351e+02 1.62 1.253909740e+02 1.253909740e+02 1.64 1.171156951e+02 1.171156951e+02 1.66 1.093587853e+02 1.093587853e+02 1.68 1.020848837e+02 1.020848837e+02 1.70 9.526138079e+01 9.526138079e+01 1.72 8.885802088e+01 8.885802088e+01 1.74 8.284657378e+01 8.284657378e+01 1.76 7.720257950e+01 7.720257950e+01 1.78 7.190440761e+01 7.190440761e+01 1.80 6.692854183e+01 6.692854183e+01 1.82 6.225371747e+01 6.225371747e+01 1.84 5.786925757e+01 5.786925757e+01 1.86 5.376016324e+01 5.376016324e+01 1.88 4.990817406e+01 4.990817406e+01 1.90 4.629666073e+01 4.629666073e+01 1.92 4.291060019e+01 4.291060019e+01 1.94 3.973656914e+01 3.973656914e+01 1.96 3.676265897e+01 3.676265897e+01 1.98 3.397827145e+01 3.397827145e+01 2.00 3.137376362e+01 3.137376362e+01 2.02 2.894001853e+01 2.894001853e+01 2.04 2.666806414e+01 2.666806414e+01 2.06 2.454885022e+01 2.454885022e+01 2.08 2.257321914e+01 2.257321914e+01 2.10 2.073201612e+01 2.073201612e+01 2.12 1.901627981e+01 1.901627981e+01 2.14 1.741741963e+01 1.741741963e+01 2.16 1.592734702e+01 1.592734702e+01 2.18 1.453854481e+01 1.453854481e+01 2.20 1.324407462e+01 1.324407462e+01 2.22 1.203754901e+01 1.203754901e+01 2.24 1.091307720e+01 1.091307720e+01 2.26 9.865200966e+00 9.865200966e+00 2.28 8.888833419e+00 8.888833419e+00 2.30 7.979198682e+00 7.979198682e+00 2.32 7.131784780e+00 7.131784780e+00 2.34 6.342322071e+00 6.342322071e+00 2.36 5.606765352e+00 5.606765352e+00 2.38 4.921298476e+00 4.921298476e+00 2.40 4.282346636e+00 4.282346636e+00 2.42 3.686597869e+00 3.686597869e+00 2.44 3.131123528e+00 3.131123528e+00 2.46 2.613067993e+00 2.613067993e+00 2.48 2.129791173e+00 2.129791173e+00 2.50 1.678952362e+00 1.678952362e+00 2.52 1.258477627e+00 1.258477627e+00 2.54 8.665211338e-01 8.665211338e-01 2.56 5.014240694e-01 5.014240694e-01 2.58 1.617259085e-01 1.617259085e-01 2.60 -1.537629218e-01 -1.537629218e-01 2.62 -4.461760521e-01 -4.461760521e-01 2.64 -7.166448523e-01 -7.166448523e-01 2.66 -9.662857504e-01 -9.662857504e-01 2.68 -1.196198843e+00 -1.196198843e+00 2.70 -1.407459593e+00 -1.407459593e+00 2.72 -1.601139866e+00 -1.601139866e+00 2.74 -1.778253677e+00 -1.778253677e+00 2.76 -1.939733376e+00 -1.939733376e+00 2.78 -2.086476202e+00 -2.086476202e+00 2.80 -2.219341696e+00 -2.219341696e+00 2.82 -2.339148942e+00 -2.339148942e+00 2.84 -2.446676000e+00 -2.446676000e+00 2.86 -2.542659716e+00 -2.542659716e+00 2.88 -2.627796205e+00 -2.627796205e+00 2.90 -2.702720238e+00 -2.702720238e+00 2.92 -2.767990217e+00 -2.767990217e+00 2.94 -2.824135371e+00 -2.824135371e+00 2.96 -2.871662535e+00 -2.871662535e+00 2.98 -2.911057761e+00 -2.911057761e+00 3.00 -2.942788016e+00 -2.942788016e+00 3.02 -2.967302511e+00 -2.967302511e+00 3.04 -2.985032955e+00 -2.985032955e+00 3.06 -2.996395223e+00 -2.996395223e+00 3.08 -3.001786497e+00 -3.001786497e+00 3.10 -3.001587586e+00 -3.001587586e+00 3.12 -2.996162843e+00 -2.996162843e+00 3.14 -2.985869594e+00 -2.985869594e+00 3.16 -2.971053126e+00 -2.971053126e+00 3.18 -2.952057998e+00 -2.952057998e+00 3.20 -2.929229680e+00 -2.929229680e+00 3.22 -2.902916210e+00 -2.902916210e+00 3.24 -2.873467902e+00 -2.873467902e+00 3.26 -2.841235403e+00 -2.841235403e+00 3.28 -2.806566562e+00 -2.806566562e+00 3.30 -2.769802436e+00 -2.769802436e+00 3.32 -2.731272620e+00 -2.731272620e+00 3.34 -2.691289984e+00 -2.691289984e+00 3.36 -2.650144977e+00 -2.650144977e+00 3.38 -2.608149577e+00 -2.608149577e+00 3.40 -2.565539245e+00 -2.565539245e+00 3.42 -2.522441430e+00 -2.522441430e+00 3.44 -2.478955880e+00 -2.478955880e+00 3.46 -2.435153566e+00 -2.435153566e+00 3.48 -2.391076485e+00 -2.391076485e+00 3.50 -2.346739567e+00 -2.346739567e+00 3.52 -2.302133974e+00 -2.302133974e+00 3.54 -2.257225937e+00 -2.257225937e+00 3.56 -2.211943223e+00 -2.211943223e+00 3.58 -2.166200015e+00 -2.166200015e+00 3.60 -2.119910075e+00 -2.119910075e+00 3.62 -2.072991992e+00 -2.072991992e+00 3.64 -2.025374832e+00 -2.025374832e+00 3.66 -1.977003965e+00 -1.977003965e+00 3.68 -1.927846885e+00 -1.927846885e+00 3.70 -1.877898688e+00 -1.877898688e+00 3.72 -1.827186794e+00 -1.827186794e+00 3.74 -1.775774403e+00 -1.775774403e+00 3.76 -1.723762194e+00 -1.723762194e+00 3.78 -1.671287870e+00 -1.671287870e+00 3.80 -1.618523335e+00 -1.618523335e+00 3.82 -1.565669509e+00 -1.565669509e+00 3.84 -1.512949047e+00 -1.512949047e+00 3.86 -1.460597481e+00 -1.460597481e+00 3.88 -1.408853450e+00 -1.408853450e+00 3.90 -1.357948819e+00 -1.357948819e+00 3.92 -1.308098727e+00 -1.308098727e+00 3.94 -1.259496839e+00 -1.259496839e+00 3.96 -1.212304572e+00 -1.212304572e+00 3.98 -1.166650739e+00 -1.166650739e+00 4.00 -1.122629161e+00 -1.122629161e+00 4.02 -1.080299237e+00 -1.080299237e+00 4.04 -1.039688247e+00 -1.039688247e+00 4.06 -1.000794947e+00 -1.000794947e+00 4.08 -9.635939935e-01 -9.635939935e-01 4.10 -9.280384322e-01 -9.280384322e-01 4.12 -8.940742578e-01 -8.940742578e-01 4.14 -8.616297281e-01 -8.616297281e-01 4.16 -8.306302341e-01 -8.306302341e-01 4.18 -8.009990227e-01 -8.009990227e-01 4.20 -7.726601081e-01 -7.726601081e-01 4.22 -7.455404908e-01 -7.455404908e-01 4.24 -7.195716771e-01 -7.195716771e-01 4.26 -6.946905174e-01 -6.946905174e-01 4.28 -6.708394146e-01 -6.708394146e-01 4.30 -6.479659995e-01 -6.479659995e-01 4.32 -6.260224075e-01 -6.260224075e-01 4.34 -6.049643276e-01 -6.049643276e-01 4.36 -5.847500044e-01 -5.847500044e-01 4.38 -5.653393539e-01 -5.653393539e-01 4.40 -5.466933075e-01 -5.466933075e-01 4.42 -5.287734349e-01 -5.287734349e-01 4.44 -5.115418355e-01 -5.115418355e-01 4.46 -4.949612389e-01 -4.949612389e-01 4.48 -4.789952352e-01 -4.789952352e-01 4.50 -4.636085539e-01 -4.636085539e-01 4.52 -4.487673254e-01 -4.487673254e-01 4.54 -4.344392841e-01 -4.344392841e-01 4.56 -4.205938951e-01 -4.205938951e-01 4.58 -4.072024035e-01 -4.072024035e-01 4.60 -3.942378218e-01 -3.942378218e-01 4.62 -3.816748712e-01 -3.816748712e-01 4.64 -3.694899009e-01 -3.694899009e-01 4.66 -3.576608037e-01 -3.576608037e-01 4.68 -3.461669457e-01 -3.461669457e-01 4.70 -3.349891232e-01 -3.349891232e-01 4.72 -3.241095575e-01 -3.241095575e-01 4.74 -3.135119308e-01 -3.135119308e-01 4.76 -3.031814660e-01 -3.031814660e-01 4.78 -2.931050431e-01 -2.931050431e-01 4.80 -2.832698069e-01 -2.832698069e-01 4.82 -2.736696989e-01 -2.736696989e-01 4.84 -2.642956094e-01 -2.642956094e-01 4.86 -2.551424154e-01 -2.551424154e-01 4.88 -2.462071570e-01 -2.462071570e-01 4.90 -2.374889276e-01 -2.374889276e-01 4.92 -2.289886355e-01 -2.289886355e-01 4.94 -2.207086295e-01 -2.207086295e-01 4.96 -2.126522073e-01 -2.126522073e-01 4.98 -2.048230434e-01 -2.048230434e-01 5.00 -1.972245949e-01 -1.972245949e-01 5.02 -1.898595489e-01 -1.898595489e-01 5.04 -1.827293731e-01 -1.827293731e-01 5.06 -1.758340282e-01 -1.758340282e-01 5.08 -1.691718584e-01 -1.691718584e-01 5.10 -1.627396631e-01 -1.627396631e-01 5.12 -1.565329209e-01 -1.565329209e-01 5.14 -1.505461241e-01 -1.505461241e-01 5.16 -1.447731616e-01 -1.447731616e-01 5.18 -1.392077049e-01 -1.392077049e-01 5.20 -1.338435470e-01 -1.338435470e-01 5.22 -1.286748611e-01 -1.286748611e-01 5.24 -1.236963589e-01 -1.236963589e-01 5.26 -1.189033455e-01 -1.189033455e-01 5.28 -1.142916577e-01 -1.142916577e-01 5.30 -1.098569355e-01 -1.098569355e-01 5.32 -1.055957394e-01 -1.055957394e-01 5.34 -1.015050255e-01 -1.015050255e-01 5.36 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