# 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 = FeMg2Mo # 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 3.549983717e+02 3.549983717e+02 1.30 3.277564352e+02 3.277564352e+02 1.32 3.026407822e+02 3.026407822e+02 1.34 2.794705974e+02 2.794705974e+02 1.36 2.580804257e+02 2.580804257e+02 1.38 2.383201353e+02 2.383201353e+02 1.40 2.200546907e+02 2.200546907e+02 1.42 2.031632462e+02 2.031632462e+02 1.44 1.875376179e+02 1.875376179e+02 1.46 1.730804869e+02 1.730804869e+02 1.48 1.597036713e+02 1.597036713e+02 1.50 1.473266553e+02 1.473266553e+02 1.52 1.358754535e+02 1.358754535e+02 1.54 1.252817958e+02 1.252817958e+02 1.56 1.154825788e+02 1.154825788e+02 1.58 1.064194538e+02 1.064194538e+02 1.60 9.803841730e+01 9.803841730e+01 1.62 9.028976693e+01 9.028976693e+01 1.64 8.312939101e+01 8.312939101e+01 1.66 7.651375539e+01 7.651375539e+01 1.68 7.040168040e+01 7.040168040e+01 1.70 6.475426363e+01 6.475426363e+01 1.72 5.953528227e+01 5.953528227e+01 1.74 5.471114946e+01 5.471114946e+01 1.76 5.025066029e+01 5.025066029e+01 1.78 4.612498168e+01 4.612498168e+01 1.80 4.230763007e+01 4.230763007e+01 1.82 3.877443149e+01 3.877443149e+01 1.84 3.550345363e+01 3.550345363e+01 1.86 3.247491784e+01 3.247491784e+01 1.88 2.967104696e+01 2.967104696e+01 1.90 2.707583480e+01 2.707583480e+01 1.92 2.467474955e+01 2.467474955e+01 1.94 2.245442528e+01 2.245442528e+01 1.96 2.040239641e+01 2.040239641e+01 1.98 1.850691308e+01 1.850691308e+01 2.00 1.675683390e+01 1.675683390e+01 2.02 1.514157352e+01 1.514157352e+01 2.04 1.365108390e+01 1.365108390e+01 2.06 1.227585165e+01 1.227585165e+01 2.08 1.100690220e+01 1.100690220e+01 2.10 9.835811798e+00 9.835811798e+00 2.12 8.754727753e+00 8.754727753e+00 2.14 7.756394322e+00 7.756394322e+00 2.16 6.834175883e+00 6.834175883e+00 2.18 5.982060357e+00 5.982060357e+00 2.20 5.194637424e+00 5.194637424e+00 2.22 4.467048949e+00 4.467048949e+00 2.24 3.794926166e+00 3.794926166e+00 2.26 3.174330466e+00 3.174330466e+00 2.28 2.601852957e+00 2.601852957e+00 2.30 2.074102165e+00 2.074102165e+00 2.32 1.587867489e+00 1.587867489e+00 2.34 1.140237220e+00 1.140237220e+00 2.36 7.285458191e-01 7.285458191e-01 2.38 3.503365753e-01 3.503365753e-01 2.40 3.336159814e-03 3.336159814e-03 2.42 -3.144295455e-01 -3.144295455e-01 2.44 -6.046451526e-01 -6.046451526e-01 2.46 -8.689353557e-01 -8.689353557e-01 2.48 -1.108872719e+00 -1.108872719e+00 2.50 -1.325970747e+00 -1.325970747e+00 2.52 -1.521679170e+00 -1.521679170e+00 2.54 -1.697380659e+00 -1.697380659e+00 2.56 -1.854388490e+00 -1.854388490e+00 2.58 -1.993945204e+00 -1.993945204e+00 2.60 -2.117222758e+00 -2.117222758e+00 2.62 -2.225327473e+00 -2.225327473e+00 2.64 -2.319294719e+00 -2.319294719e+00 2.66 -2.400095862e+00 -2.400095862e+00 2.68 -2.468649135e+00 -2.468649135e+00 2.70 -2.525825317e+00 -2.525825317e+00 2.72 -2.572454614e+00 -2.572454614e+00 2.74 -2.609333814e+00 -2.609333814e+00 2.76 -2.637217407e+00 -2.637217407e+00 2.78 -2.656690002e+00 -2.656690002e+00 2.80 -2.668255480e+00 -2.668255480e+00 2.82 -2.672426332e+00 -2.672426332e+00 2.84 -2.669723927e+00 -2.669723927e+00 2.86 -2.660675649e+00 -2.660675649e+00 2.88 -2.645812029e+00 -2.645812029e+00 2.90 -2.625663902e+00 -2.625663902e+00 2.92 -2.600759904e+00 -2.600759904e+00 2.94 -2.571624213e+00 -2.571624213e+00 2.96 -2.538773994e+00 -2.538773994e+00 2.98 -2.502715724e+00 -2.502715724e+00 3.00 -2.463939694e+00 -2.463939694e+00 3.02 -2.422912492e+00 -2.422912492e+00 3.04 -2.380067789e+00 -2.380067789e+00 3.06 -2.335798266e+00 -2.335798266e+00 3.08 -2.290446100e+00 -2.290446100e+00 3.10 -2.244299272e+00 -2.244299272e+00 3.12 -2.197589495e+00 -2.197589495e+00 3.14 -2.150497111e+00 -2.150497111e+00 3.16 -2.103154617e+00 -2.103154617e+00 3.18 -2.055712855e+00 -2.055712855e+00 3.20 -2.008196578e+00 -2.008196578e+00 3.22 -1.960561668e+00 -1.960561668e+00 3.24 -1.912769127e+00 -1.912769127e+00 3.26 -1.864793823e+00 -1.864793823e+00 3.28 -1.816609666e+00 -1.816609666e+00 3.30 -1.768002304e+00 -1.768002304e+00 3.32 -1.718695362e+00 -1.718695362e+00 3.34 -1.668496921e+00 -1.668496921e+00 3.36 -1.617304244e+00 -1.617304244e+00 3.38 -1.565104374e+00 -1.565104374e+00 3.40 -1.511971755e+00 -1.511971755e+00 3.42 -1.458062927e+00 -1.458062927e+00 3.44 -1.403606463e+00 -1.403606463e+00 3.46 -1.348889979e+00 -1.348889979e+00 3.48 -1.294243145e+00 -1.294243145e+00 3.50 -1.240018385e+00 -1.240018385e+00 3.52 -1.186570726e+00 -1.186570726e+00 3.54 -1.134238601e+00 -1.134238601e+00 3.56 -1.083327297e+00 -1.083327297e+00 3.58 -1.034096332e+00 -1.034096332e+00 3.60 -9.867514780e-01 -9.867514780e-01 3.62 -9.414414813e-01 -9.414414813e-01 3.64 -8.982590145e-01 -8.982590145e-01 3.66 -8.572450060e-01 -8.572450060e-01 3.68 -8.183953183e-01 -8.183953183e-01 3.70 -7.816687507e-01 -7.816687507e-01 3.72 -7.469954664e-01 -7.469954664e-01 3.74 -7.142851390e-01 -7.142851390e-01 3.76 -6.834343300e-01 -6.834343300e-01 3.78 -6.543327925e-01 -6.543327925e-01 3.80 -6.268685555e-01 -6.268685555e-01 3.82 -6.009317558e-01 -6.009317558e-01 3.84 -5.764172656e-01 -5.764172656e-01 3.86 -5.532262363e-01 -5.532262363e-01 3.88 -5.312667315e-01 -5.312667315e-01 3.90 -5.104536732e-01 -5.104536732e-01 3.92 -4.907081004e-01 -4.907081004e-01 3.94 -4.719575404e-01 -4.719575404e-01 3.96 -4.541336650e-01 -4.541336650e-01 3.98 -4.371729423e-01 -4.371729423e-01 4.00 -4.210159791e-01 -4.210159791e-01 4.02 -4.056073510e-01 -4.056073510e-01 4.04 -3.908955459e-01 -3.908955459e-01 4.06 -3.768329490e-01 -3.768329490e-01 4.08 -3.633758127e-01 -3.633758127e-01 4.10 -3.504834541e-01 -3.504834541e-01 4.12 -3.381211421e-01 -3.381211421e-01 4.14 -3.262550926e-01 -3.262550926e-01 4.16 -3.148556105e-01 -3.148556105e-01 4.18 -3.038959034e-01 -3.038959034e-01 4.20 -2.933517905e-01 -2.933517905e-01 4.22 -2.832014135e-01 -2.832014135e-01 4.24 -2.734249609e-01 -2.734249609e-01 4.26 -2.640044114e-01 -2.640044114e-01 4.28 -2.549233020e-01 -2.549233020e-01 4.30 -2.461665217e-01 -2.461665217e-01 4.32 -2.377201311e-01 -2.377201311e-01 4.34 -2.295712072e-01 -2.295712072e-01 4.36 -2.217077104e-01 -2.217077104e-01 4.38 -2.141183725e-01 -2.141183725e-01 4.40 -2.067926023e-01 -2.067926023e-01 4.42 -1.997204071e-01 -1.997204071e-01 4.44 -1.928923262e-01 -1.928923262e-01 4.46 -1.862993765e-01 -1.862993765e-01 4.48 -1.799330056e-01 -1.799330056e-01 4.50 -1.737850547e-01 -1.737850547e-01 4.52 -1.678477240e-01 -1.678477240e-01 4.54 -1.621135425e-01 -1.621135425e-01 4.56 -1.565753461e-01 -1.565753461e-01 4.58 -1.512262563e-01 -1.512262563e-01 4.60 -1.460596622e-01 -1.460596622e-01 4.62 -1.410692032e-01 -1.410692032e-01 4.64 -1.362487549e-01 -1.362487549e-01 4.66 -1.315924157e-01 -1.315924157e-01 4.68 -1.270944944e-01 -1.270944944e-01 4.70 -1.227494994e-01 -1.227494994e-01 4.72 -1.185521280e-01 -1.185521280e-01 4.74 -1.144972573e-01 -1.144972573e-01 4.76 -1.105799348e-01 -1.105799348e-01 4.78 -1.067953698e-01 -1.067953698e-01 4.80 -1.031385171e-01 -1.031385171e-01 4.82 -9.960577677e-02 -9.960577677e-02 4.84 -9.619224736e-02 -9.619224736e-02 4.86 -9.289352625e-02 -9.289352625e-02 4.88 -8.970555857e-02 -8.970555857e-02 4.90 -8.662442155e-02 -8.662442155e-02 4.92 -8.364629681e-02 -8.364629681e-02 4.94 -8.076746586e-02 -8.076746586e-02 4.96 -7.798430580e-02 -7.798430580e-02 4.98 -7.529328538e-02 -7.529328538e-02 5.00 -7.269096142e-02 -7.269096142e-02 5.02 -7.017397585e-02 -7.017397585e-02 5.04 -6.773905343e-02 -6.773905343e-02 5.06 -6.538300043e-02 -6.538300043e-02 5.08 -6.310270444e-02 -6.310270444e-02 5.10 -6.089513568e-02 -6.089513568e-02 5.12 -5.875734974e-02 -5.875734974e-02 5.14 -5.668649295e-02 -5.668649295e-02 5.16 -5.467980986e-02 -5.467980986e-02 5.18 -5.273465289e-02 -5.273465289e-02 5.20 -5.084849511e-02 -5.084849511e-02 5.22 -4.901894572e-02 -4.901894572e-02 5.24 -4.724376813e-02 -4.724376813e-02 5.26 -4.552090010e-02 -4.552090010e-02 5.28 -4.384847495e-02 -4.384847495e-02 5.30 -4.222484256e-02 -4.222484256e-02 5.32 -4.064858812e-02 -4.064858812e-02 5.34 -3.911854644e-02 -3.911854644e-02 5.36 -3.763380939e-02 -3.763380939e-02 5.38 -3.619372241e-02 -3.619372241e-02 5.40 -3.479786973e-02 -3.479786973e-02 5.42 -3.344604580e-02 -3.344604580e-02 5.44 -3.213821242e-02 -3.213821242e-02 5.46 -3.087444285e-02 -3.087444285e-02 5.48 -2.965485621e-02 -2.965485621e-02 5.50 -2.847954665e-02 -2.847954665e-02 5.52 -2.734851303e-02 -2.734851303e-02 5.54 -2.626159526e-02 -2.626159526e-02 5.56 -2.521842287e-02 -2.521842287e-02 5.58 -2.421837983e-02 -2.421837983e-02 5.60 -2.326058795e-02 -2.326058795e-02 5.62 -2.234390867e-02 -2.234390867e-02 5.64 -2.146696144e-02 -2.146696144e-02 5.66 -2.062815504e-02 -2.062815504e-02 5.68 -1.982572755e-02 -1.982572755e-02 5.70 -1.905779058e-02 -1.905779058e-02 5.72 -1.832237377e-02 -1.832237377e-02 5.74 -1.761746573e-02 -1.761746573e-02 5.76 -1.694100621e-02 -1.694100621e-02 5.78 -1.629098894e-02 -1.629098894e-02 5.80 -1.566548851e-02 -1.566548851e-02 5.82 -1.506264556e-02 -1.506264556e-02 5.84 -1.448067907e-02 -1.448067907e-02 5.86 -1.391789425e-02 -1.391789425e-02 5.88 -1.337268709e-02 -1.337268709e-02 5.90 -1.284354666e-02 -1.284354666e-02 5.92 -1.232905632e-02 -1.232905632e-02 5.94 -1.182789456e-02 -1.182789456e-02 5.96 -1.133883631e-02 -1.133883631e-02 5.98 -1.086075530e-02 -1.086075530e-02 6.00 -1.039262781e-02 -1.039262781e-02