# 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 = FeMg2Pb # 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 3.550110030e+02 3.550110030e+02 1.30 3.285698537e+02 3.285698537e+02 1.32 3.041541932e+02 3.041541932e+02 1.34 2.815971159e+02 2.815971159e+02 1.36 2.607449692e+02 2.607449692e+02 1.38 2.414575963e+02 2.414575963e+02 1.40 2.236080734e+02 2.236080734e+02 1.42 2.070818126e+02 2.070818126e+02 1.44 1.917751539e+02 1.917751539e+02 1.46 1.775937388e+02 1.775937388e+02 1.48 1.644511313e+02 1.644511313e+02 1.50 1.522679329e+02 1.522679329e+02 1.52 1.409712609e+02 1.409712609e+02 1.54 1.304942500e+02 1.304942500e+02 1.56 1.207754795e+02 1.207754795e+02 1.58 1.117584354e+02 1.117584354e+02 1.60 1.033910827e+02 1.033910827e+02 1.62 9.562952149e+01 9.562952149e+01 1.64 8.843489117e+01 8.843489117e+01 1.66 8.176548672e+01 8.176548672e+01 1.68 7.558303657e+01 7.558303657e+01 1.70 6.985190039e+01 6.985190039e+01 1.72 6.453867344e+01 6.453867344e+01 1.74 5.961202426e+01 5.961202426e+01 1.76 5.504269770e+01 5.504269770e+01 1.78 5.080359256e+01 5.080359256e+01 1.80 4.686980555e+01 4.686980555e+01 1.82 4.321860403e+01 4.321860403e+01 1.84 3.982929341e+01 3.982929341e+01 1.86 3.668301992e+01 3.668301992e+01 1.88 3.376253406e+01 3.376253406e+01 1.90 3.105194477e+01 3.105194477e+01 1.92 2.853650316e+01 2.853650316e+01 1.94 2.620243813e+01 2.620243813e+01 1.96 2.403683707e+01 2.403683707e+01 1.98 2.202757824e+01 2.202757824e+01 2.00 2.016329412e+01 2.016329412e+01 2.02 1.843335777e+01 1.843335777e+01 2.04 1.682788540e+01 1.682788540e+01 2.06 1.533774533e+01 1.533774533e+01 2.08 1.395455536e+01 1.395455536e+01 2.10 1.267065935e+01 1.267065935e+01 2.12 1.147907400e+01 1.147907400e+01 2.14 1.037341266e+01 1.037341266e+01 2.16 9.347804686e+00 9.347804686e+00 2.18 8.396819053e+00 8.396819053e+00 2.20 7.515402078e+00 7.515402078e+00 2.22 6.698829999e+00 6.698829999e+00 2.24 5.942678005e+00 5.942678005e+00 2.26 5.242802326e+00 5.242802326e+00 2.28 4.595323993e+00 4.595323993e+00 2.30 3.996624282e+00 3.996624282e+00 2.32 3.443320554e+00 3.443320554e+00 2.34 2.932257971e+00 2.932257971e+00 2.36 2.460487285e+00 2.460487285e+00 2.38 2.025252818e+00 2.025252818e+00 2.40 1.623982757e+00 1.623982757e+00 2.42 1.254281316e+00 1.254281316e+00 2.44 9.139235153e-01 9.139235153e-01 2.46 6.008475890e-01 6.008475890e-01 2.48 3.131465817e-01 3.131465817e-01 2.50 4.905727279e-02 4.905727279e-02 2.52 -1.930531890e-01 -1.930531890e-01 2.54 -4.147015869e-01 -4.147015869e-01 2.56 -6.173021130e-01 -6.173021130e-01 2.58 -8.021802001e-01 -8.021802001e-01 2.60 -9.705711796e-01 -9.705711796e-01 2.62 -1.123629765e+00 -1.123629765e+00 2.64 -1.262439210e+00 -1.262439210e+00 2.66 -1.388007895e+00 -1.388007895e+00 2.68 -1.501274881e+00 -1.501274881e+00 2.70 -1.603110657e+00 -1.603110657e+00 2.72 -1.694319628e+00 -1.694319628e+00 2.74 -1.775631978e+00 -1.775631978e+00 2.76 -1.847638521e+00 -1.847638521e+00 2.78 -1.910860834e+00 -1.910860834e+00 2.80 -1.965801047e+00 -1.965801047e+00 2.82 -2.012942467e+00 -2.012942467e+00 2.84 -2.052756247e+00 -2.052756247e+00 2.86 -2.085704287e+00 -2.085704287e+00 2.88 -2.112241415e+00 -2.112241415e+00 2.90 -2.132825039e+00 -2.132825039e+00 2.92 -2.147937933e+00 -2.147937933e+00 2.94 -2.157953925e+00 -2.157953925e+00 2.96 -2.163236340e+00 -2.163236340e+00 2.98 -2.164150569e+00 -2.164150569e+00 3.00 -2.161056265e+00 -2.161056265e+00 3.02 -2.154301163e+00 -2.154301163e+00 3.04 -2.144214323e+00 -2.144214323e+00 3.06 -2.131097447e+00 -2.131097447e+00 3.08 -2.115227603e+00 -2.115227603e+00 3.10 -2.096868793e+00 -2.096868793e+00 3.12 -2.076269933e+00 -2.076269933e+00 3.14 -2.053690823e+00 -2.053690823e+00 3.16 -2.029376487e+00 -2.029376487e+00 3.18 -2.003487519e+00 -2.003487519e+00 3.20 -1.976183680e+00 -1.976183680e+00 3.22 -1.947627546e+00 -1.947627546e+00 3.24 -1.917984623e+00 -1.917984623e+00 3.26 -1.887422854e+00 -1.887422854e+00 3.28 -1.856095690e+00 -1.856095690e+00 3.30 -1.824072980e+00 -1.824072980e+00 3.32 -1.791416274e+00 -1.791416274e+00 3.34 -1.758211625e+00 -1.758211625e+00 3.36 -1.724561152e+00 -1.724561152e+00 3.38 -1.690574793e+00 -1.690574793e+00 3.40 -1.656362695e+00 -1.656362695e+00 3.42 -1.622030719e+00 -1.622030719e+00 3.44 -1.587674483e+00 -1.587674483e+00 3.46 -1.553378528e+00 -1.553378528e+00 3.48 -1.519215126e+00 -1.519215126e+00 3.50 -1.485244558e+00 -1.485244558e+00 3.52 -1.451516117e+00 -1.451516117e+00 3.54 -1.418069589e+00 -1.418069589e+00 3.56 -1.384936949e+00 -1.384936949e+00 3.58 -1.352144140e+00 -1.352144140e+00 3.60 -1.319712801e+00 -1.319712801e+00 3.62 -1.287661856e+00 -1.287661856e+00 3.64 -1.256008895e+00 -1.256008895e+00 3.66 -1.224771280e+00 -1.224771280e+00 3.68 -1.193966921e+00 -1.193966921e+00 3.70 -1.163614685e+00 -1.163614685e+00 3.72 -1.133734411e+00 -1.133734411e+00 3.74 -1.104346586e+00 -1.104346586e+00 3.76 -1.075471730e+00 -1.075471730e+00 3.78 -1.047129628e+00 -1.047129628e+00 3.80 -1.019338523e+00 -1.019338523e+00 3.82 -9.921144041e-01 -9.921144041e-01 3.84 -9.654704452e-01 -9.654704452e-01 3.86 -9.394166334e-01 -9.394166334e-01 3.88 -9.139595661e-01 -9.139595661e-01 3.90 -8.891023885e-01 -8.891023885e-01 3.92 -8.648442312e-01 -8.648442312e-01 3.94 -8.411829661e-01 -8.411829661e-01 3.96 -8.181114062e-01 -8.181114062e-01 3.98 -7.956205766e-01 -7.956205766e-01 4.00 -7.736994364e-01 -7.736994364e-01 4.02 -7.523354143e-01 -7.523354143e-01 4.04 -7.315149462e-01 -7.315149462e-01 4.06 -7.112239643e-01 -7.112239643e-01 4.08 -6.914483052e-01 -6.914483052e-01 4.10 -6.721722242e-01 -6.721722242e-01 4.12 -6.533861222e-01 -6.533861222e-01 4.14 -6.350748298e-01 -6.350748298e-01 4.16 -6.172259893e-01 -6.172259893e-01 4.18 -5.998278509e-01 -5.998278509e-01 4.20 -5.828692472e-01 -5.828692472e-01 4.22 -5.663395495e-01 -5.663395495e-01 4.24 -5.502286174e-01 -5.502286174e-01 4.26 -5.345267489e-01 -5.345267489e-01 4.28 -5.192246353e-01 -5.192246353e-01 4.30 -5.043133219e-01 -5.043133219e-01 4.32 -4.897841762e-01 -4.897841762e-01 4.34 -4.756288604e-01 -4.756288604e-01 4.36 -4.618393073e-01 -4.618393073e-01 4.38 -4.484076982e-01 -4.484076982e-01 4.40 -4.353264402e-01 -4.353264402e-01 4.42 -4.225881417e-01 -4.225881417e-01 4.44 -4.101855866e-01 -4.101855866e-01 4.46 -3.981117057e-01 -3.981117057e-01 4.48 -3.863595476e-01 -3.863595476e-01 4.50 -3.749222491e-01 -3.749222491e-01 4.52 -3.637930066e-01 -3.637930066e-01 4.54 -3.529650507e-01 -3.529650507e-01 4.56 -3.424316241e-01 -3.424316241e-01 4.58 -3.321859647e-01 -3.321859647e-01 4.60 -3.222212949e-01 -3.222212949e-01 4.62 -3.125308167e-01 -3.125308167e-01 4.64 -3.031077127e-01 -3.031077127e-01 4.66 -2.939451536e-01 -2.939451536e-01 4.68 -2.850363096e-01 -2.850363096e-01 4.70 -2.763743660e-01 -2.763743660e-01 4.72 -2.679525404e-01 -2.679525404e-01 4.74 -2.597641013e-01 -2.597641013e-01 4.76 -2.518023855e-01 -2.518023855e-01 4.78 -2.440608132e-01 -2.440608132e-01 4.80 -2.365317546e-01 -2.365317546e-01 4.82 -2.292113136e-01 -2.292113136e-01 4.84 -2.220918567e-01 -2.220918567e-01 4.86 -2.151672377e-01 -2.151672377e-01 4.88 -2.084314262e-01 -2.084314262e-01 4.90 -2.018785084e-01 -2.018785084e-01 4.92 -1.955026903e-01 -1.955026903e-01 4.94 -1.892983023e-01 -1.892983023e-01 4.96 -1.832598079e-01 -1.832598079e-01 4.98 -1.773818181e-01 -1.773818181e-01 5.00 -1.716591107e-01 -1.716591107e-01 5.02 -1.660866554e-01 -1.660866554e-01 5.04 -1.606596452e-01 -1.606596452e-01 5.06 -1.553735323e-01 -1.553735323e-01 5.08 -1.502240668e-01 -1.502240668e-01 5.10 -1.452073364e-01 -1.452073364e-01 5.12 -1.403198048e-01 -1.403198048e-01 5.14 -1.355583442e-01 -1.355583442e-01 5.16 -1.309202585e-01 -1.309202585e-01 5.18 -1.264032949e-01 -1.264032949e-01 5.20 -1.220056394e-01 -1.220056394e-01 5.22 -1.177258941e-01 -1.177258941e-01 5.24 -1.135630359e-01 -1.135630359e-01 5.26 -1.095163569e-01 -1.095163569e-01 5.28 -1.055853898e-01 -1.055853898e-01 5.30 -1.017698218e-01 -1.017698218e-01 5.32 -9.806940322e-02 -9.806940322e-02 5.34 -9.448385645e-02 -9.448385645e-02 5.36 -9.101279063e-02 -9.101279063e-02 5.38 -8.765562638e-02 -8.765562638e-02 5.40 -8.441153326e-02 -8.441153326e-02 5.42 -8.127938087e-02 -8.127938087e-02 5.44 -7.825770282e-02 -7.825770282e-02 5.46 -7.534467210e-02 -7.534467210e-02 5.48 -7.253808629e-02 -7.253808629e-02 5.50 -6.983536086e-02 -6.983536086e-02 5.52 -6.723353160e-02 -6.723353160e-02 5.54 -6.472926582e-02 -6.472926582e-02 5.56 -6.231888344e-02 -6.231888344e-02 5.58 -5.999838863e-02 -5.999838863e-02 5.60 -5.776351224e-02 -5.776351224e-02 5.62 -5.560976421e-02 -5.560976421e-02 5.64 -5.353249504e-02 -5.353249504e-02 5.66 -5.152695711e-02 -5.152695711e-02 5.68 -4.958837359e-02 -4.958837359e-02 5.70 -4.771200529e-02 -4.771200529e-02 5.72 -4.589321352e-02 -4.589321352e-02 5.74 -4.412751711e-02 -4.412751711e-02 5.76 -4.241059541e-02 -4.241059541e-02 5.78 -4.073839202e-02 -4.073839202e-02 5.80 -3.910716999e-02 -3.910716999e-02 5.82 -3.751355986e-02 -3.751355986e-02 5.84 -3.595454608e-02 -3.595454608e-02 5.86 -3.442749158e-02 -3.442749158e-02 5.88 -3.293015902e-02 -3.293015902e-02 5.90 -3.146072778e-02 -3.146072778e-02 5.92 -3.001780621e-02 -3.001780621e-02 5.94 -2.860040424e-02 -2.860040424e-02 5.96 -2.720764199e-02 -2.720764199e-02 5.98 -2.583941586e-02 -2.583941586e-02 6.00 -2.449614657e-02 -2.449614657e-02