# 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 = FePbZr2 # 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 4.006463519e+02 4.006463519e+02 1.30 3.729792867e+02 3.729792867e+02 1.32 3.473113877e+02 3.473113877e+02 1.34 3.234821535e+02 3.234821535e+02 1.36 3.013437530e+02 3.013437530e+02 1.38 2.807618813e+02 2.807618813e+02 1.40 2.616157447e+02 2.616157447e+02 1.42 2.437969693e+02 2.437969693e+02 1.44 2.272078776e+02 2.272078776e+02 1.46 2.117595122e+02 2.117595122e+02 1.48 1.973699801e+02 1.973699801e+02 1.50 1.839634810e+02 1.839634810e+02 1.52 1.714698324e+02 1.714698324e+02 1.54 1.598238851e+02 1.598238851e+02 1.56 1.489649613e+02 1.489649613e+02 1.58 1.388364633e+02 1.388364633e+02 1.60 1.293857882e+02 1.293857882e+02 1.62 1.205643331e+02 1.205643331e+02 1.64 1.123274993e+02 1.123274993e+02 1.66 1.046344722e+02 1.046344722e+02 1.68 9.744780954e+01 9.744780954e+01 1.70 9.073296959e+01 9.073296959e+01 1.72 8.445778743e+01 8.445778743e+01 1.74 7.859209348e+01 7.859209348e+01 1.76 7.310753579e+01 7.310753579e+01 1.78 6.797759408e+01 6.797759408e+01 1.80 6.317763633e+01 6.317763633e+01 1.82 5.868490625e+01 5.868490625e+01 1.84 5.447842638e+01 5.447842638e+01 1.86 5.053890991e+01 5.053890991e+01 1.88 4.684861392e+01 4.684861392e+01 1.90 4.339122636e+01 4.339122636e+01 1.92 4.015239861e+01 4.015239861e+01 1.94 3.711804780e+01 3.711804780e+01 1.96 3.427501592e+01 3.427501592e+01 1.98 3.161485470e+01 3.161485470e+01 2.00 2.912655931e+01 2.912655931e+01 2.02 2.679859965e+01 2.679859965e+01 2.04 2.462029372e+01 2.462029372e+01 2.06 2.258178375e+01 2.258178375e+01 2.08 2.067399348e+01 2.067399348e+01 2.10 1.888859224e+01 1.888859224e+01 2.12 1.721792002e+01 1.721792002e+01 2.14 1.565491224e+01 1.565491224e+01 2.16 1.419302183e+01 1.419302183e+01 2.18 1.282613718e+01 1.282613718e+01 2.20 1.154852342e+01 1.154852342e+01 2.22 1.035475888e+01 1.035475888e+01 2.24 9.239702222e+00 9.239702222e+00 2.26 8.198487197e+00 8.198487197e+00 2.28 7.226516894e+00 7.226516894e+00 2.30 6.319501805e+00 6.319501805e+00 2.32 5.473431065e+00 5.473431065e+00 2.34 4.684563370e+00 4.684563370e+00 2.36 3.949385943e+00 3.949385943e+00 2.38 3.264581927e+00 3.264581927e+00 2.40 2.627003565e+00 2.627003565e+00 2.42 2.033647897e+00 2.033647897e+00 2.44 1.481654234e+00 1.481654234e+00 2.46 9.682982467e-01 9.682982467e-01 2.48 4.910025885e-01 4.910025885e-01 2.50 4.735010816e-02 4.735010816e-02 2.52 -3.649063239e-01 -3.649063239e-01 2.54 -7.478426590e-01 -7.478426590e-01 2.56 -1.103371225e+00 -1.103371225e+00 2.58 -1.433253413e+00 -1.433253413e+00 2.60 -1.739113767e+00 -1.739113767e+00 2.62 -2.022451536e+00 -2.022451536e+00 2.64 -2.284659497e+00 -2.284659497e+00 2.66 -2.527021311e+00 -2.527021311e+00 2.68 -2.750726884e+00 -2.750726884e+00 2.70 -2.956918359e+00 -2.956918359e+00 2.72 -3.146688278e+00 -3.146688278e+00 2.74 -3.320843723e+00 -3.320843723e+00 2.76 -3.480123718e+00 -3.480123718e+00 2.78 -3.625210137e+00 -3.625210137e+00 2.80 -3.756740217e+00 -3.756740217e+00 2.82 -3.875294660e+00 -3.875294660e+00 2.84 -3.981421834e+00 -3.981421834e+00 2.86 -4.075643657e+00 -4.075643657e+00 2.88 -4.158321288e+00 -4.158321288e+00 2.90 -4.229682878e+00 -4.229682878e+00 2.92 -4.290025804e+00 -4.290025804e+00 2.94 -4.339720966e+00 -4.339720966e+00 2.96 -4.379201733e+00 -4.379201733e+00 2.98 -4.408950318e+00 -4.408950318e+00 3.00 -4.429482948e+00 -4.429482948e+00 3.02 -4.441335402e+00 -4.441335402e+00 3.04 -4.445045865e+00 -4.445045865e+00 3.06 -4.441164832e+00 -4.441164832e+00 3.08 -4.430218514e+00 -4.430218514e+00 3.10 -4.412728914e+00 -4.412728914e+00 3.12 -4.389206281e+00 -4.389206281e+00 3.14 -4.360163513e+00 -4.360163513e+00 3.16 -4.326100876e+00 -4.326100876e+00 3.18 -4.287523154e+00 -4.287523154e+00 3.20 -4.244928596e+00 -4.244928596e+00 3.22 -4.198809875e+00 -4.198809875e+00 3.24 -4.149652386e+00 -4.149652386e+00 3.26 -4.097930353e+00 -4.097930353e+00 3.28 -4.044102884e+00 -4.044102884e+00 3.30 -3.988609461e+00 -3.988609461e+00 3.32 -3.931864159e+00 -3.931864159e+00 3.34 -3.874248509e+00 -3.874248509e+00 3.36 -3.816097620e+00 -3.816097620e+00 3.38 -3.757644038e+00 -3.757644038e+00 3.40 -3.699051384e+00 -3.699051384e+00 3.42 -3.640456247e+00 -3.640456247e+00 3.44 -3.581956567e+00 -3.581956567e+00 3.46 -3.523623339e+00 -3.523623339e+00 3.48 -3.465502877e+00 -3.465502877e+00 3.50 -3.407622090e+00 -3.407622090e+00 3.52 -3.349993597e+00 -3.349993597e+00 3.54 -3.292620216e+00 -3.292620216e+00 3.56 -3.235498620e+00 -3.235498620e+00 3.58 -3.178622157e+00 -3.178622157e+00 3.60 -3.121982960e+00 -3.121982960e+00 3.62 -3.065573523e+00 -3.065573523e+00 3.64 -3.009388001e+00 -3.009388001e+00 3.66 -2.953443585e+00 -2.953443585e+00 3.68 -2.897741048e+00 -2.897741048e+00 3.70 -2.842266618e+00 -2.842266618e+00 3.72 -2.787016444e+00 -2.787016444e+00 3.74 -2.731997706e+00 -2.731997706e+00 3.76 -2.677229913e+00 -2.677229913e+00 3.78 -2.622746190e+00 -2.622746190e+00 3.80 -2.568594204e+00 -2.568594204e+00 3.82 -2.514836295e+00 -2.514836295e+00 3.84 -2.461548324e+00 -2.461548324e+00 3.86 -2.408816022e+00 -2.408816022e+00 3.88 -2.356727229e+00 -2.356727229e+00 3.90 -2.305369290e+00 -2.305369290e+00 3.92 -2.254820799e+00 -2.254820799e+00 3.94 -2.205160949e+00 -2.205160949e+00 3.96 -2.156439739e+00 -2.156439739e+00 3.98 -2.108692741e+00 -2.108692741e+00 4.00 -2.061936006e+00 -2.061936006e+00 4.02 -2.016167727e+00 -2.016167727e+00 4.04 -1.971371374e+00 -1.971371374e+00 4.06 -1.927519551e+00 -1.927519551e+00 4.08 -1.884577898e+00 -1.884577898e+00 4.10 -1.842500703e+00 -1.842500703e+00 4.12 -1.801266515e+00 -1.801266515e+00 4.14 -1.760828473e+00 -1.760828473e+00 4.16 -1.721151877e+00 -1.721151877e+00 4.18 -1.682205296e+00 -1.682205296e+00 4.20 -1.643960844e+00 -1.643960844e+00 4.22 -1.606394163e+00 -1.606394163e+00 4.24 -1.569484224e+00 -1.569484224e+00 4.26 -1.533213036e+00 -1.533213036e+00 4.28 -1.497565323e+00 -1.497565323e+00 4.30 -1.462528202e+00 -1.462528202e+00 4.32 -1.428090898e+00 -1.428090898e+00 4.34 -1.394244477e+00 -1.394244477e+00 4.36 -1.360981619e+00 -1.360981619e+00 4.38 -1.328296408e+00 -1.328296408e+00 4.40 -1.296184143e+00 -1.296184143e+00 4.42 -1.264641149e+00 -1.264641149e+00 4.44 -1.233664593e+00 -1.233664593e+00 4.46 -1.203252299e+00 -1.203252299e+00 4.48 -1.173402561e+00 -1.173402561e+00 4.50 -1.144113959e+00 -1.144113959e+00 4.52 -1.115385177e+00 -1.115385177e+00 4.54 -1.087214840e+00 -1.087214840e+00 4.56 -1.059601357e+00 -1.059601357e+00 4.58 -1.032542791e+00 -1.032542791e+00 4.60 -1.006036750e+00 -1.006036750e+00 4.62 -9.800803009e-01 -9.800803009e-01 4.64 -9.546699138e-01 -9.546699138e-01 4.66 -9.298014226e-01 -9.298014226e-01 4.68 -9.054700135e-01 -9.054700135e-01 4.70 -8.816702293e-01 -8.816702293e-01 4.72 -8.583959895e-01 -8.583959895e-01 4.74 -8.356406212e-01 -8.356406212e-01 4.76 -8.133968971e-01 -8.133968971e-01 4.78 -7.916570777e-01 -7.916570777e-01 4.80 -7.704062527e-01 -7.704062527e-01 4.82 -7.496503071e-01 -7.496503071e-01 4.84 -7.293721902e-01 -7.293721902e-01 4.86 -7.095625430e-01 -7.095625430e-01 4.88 -6.902116694e-01 -6.902116694e-01 4.90 -6.713095629e-01 -6.713095629e-01 4.92 -6.528459311e-01 -6.528459311e-01 4.94 -6.348102198e-01 -6.348102198e-01 4.96 -6.171916379e-01 -6.171916379e-01 4.98 -5.999791858e-01 -5.999791858e-01 5.00 -5.831616882e-01 -5.831616882e-01 5.02 -5.667278339e-01 -5.667278339e-01 5.04 -5.506662220e-01 -5.506662220e-01 5.06 -5.349654188e-01 -5.349654188e-01 5.08 -5.196140220e-01 -5.196140220e-01 5.10 -5.046007365e-01 -5.046007365e-01 5.12 -4.899144592e-01 -4.899144592e-01 5.14 -4.755443737e-01 -4.755443737e-01 5.16 -4.614800553e-01 -4.614800553e-01 5.18 -4.477115842e-01 -4.477115842e-01 5.20 -4.342296681e-01 -4.342296681e-01 5.22 -4.210257728e-01 -4.210257728e-01 5.24 -4.080922609e-01 -4.080922609e-01 5.26 -3.954225368e-01 -3.954225368e-01 5.28 -3.830111950e-01 -3.830111950e-01 5.30 -3.708541685e-01 -3.708541685e-01 5.32 -3.589488666e-01 -3.589488666e-01 5.34 -3.472942920e-01 -3.472942920e-01 5.36 -3.358911181e-01 -3.358911181e-01 5.38 -3.247417085e-01 -3.247417085e-01 5.40 -3.138500536e-01 -3.138500536e-01 5.42 -3.032216068e-01 -3.032216068e-01 5.44 -2.928630056e-01 -2.928630056e-01 5.46 -2.827816749e-01 -2.827816749e-01 5.48 -2.729853267e-01 -2.729853267e-01 5.50 -2.634813826e-01 -2.634813826e-01 5.52 -2.542763644e-01 -2.542763644e-01 5.54 -2.453753026e-01 -2.453753026e-01 5.56 -2.367812194e-01 -2.367812194e-01 5.58 -2.284947305e-01 -2.284947305e-01 5.60 -2.205138009e-01 -2.205138009e-01 5.62 -2.128336677e-01 -2.128336677e-01 5.64 -2.054469264e-01 -2.054469264e-01 5.66 -1.983437568e-01 -1.983437568e-01 5.68 -1.915122567e-01 -1.915122567e-01 5.70 -1.849388428e-01 -1.849388428e-01 5.72 -1.786086810e-01 -1.786086810e-01 5.74 -1.725061116e-01 -1.725061116e-01 5.76 -1.666150449e-01 -1.666150449e-01 5.78 -1.609193080e-01 -1.609193080e-01 5.80 -1.554029380e-01 -1.554029380e-01 5.82 -1.500504164e-01 -1.500504164e-01 5.84 -1.448468495e-01 -1.448468495e-01 5.86 -1.397781027e-01 -1.397781027e-01 5.88 -1.348308948e-01 -1.348308948e-01 5.90 -1.299928636e-01 -1.299928636e-01 5.92 -1.252526090e-01 -1.252526090e-01 5.94 -1.205997221e-01 -1.205997221e-01 5.96 -1.160248057e-01 -1.160248057e-01 5.98 -1.115193921e-01 -1.115193921e-01 6.00 -1.070761383e-01 -1.070761383e-01