# 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 = FeMoTa2 # 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 3.211341415e+02 3.211341415e+02 1.30 2.964653015e+02 2.964653015e+02 1.32 2.736893460e+02 2.736893460e+02 1.34 2.526423351e+02 2.526423351e+02 1.36 2.331773539e+02 2.331773539e+02 1.38 2.151633739e+02 2.151633739e+02 1.40 1.984840540e+02 1.984840540e+02 1.42 1.830361691e+02 1.830361691e+02 1.44 1.687273817e+02 1.687273817e+02 1.46 1.554736214e+02 1.554736214e+02 1.48 1.431967020e+02 1.431967020e+02 1.50 1.318227765e+02 1.318227765e+02 1.52 1.212819280e+02 1.212819280e+02 1.54 1.115087603e+02 1.115087603e+02 1.56 1.024434047e+02 1.024434047e+02 1.58 9.403219207e+01 9.403219207e+01 1.60 8.622750597e+01 8.622750597e+01 1.62 7.898687149e+01 7.898687149e+01 1.64 7.227172603e+01 7.227172603e+01 1.66 6.604633558e+01 6.604633558e+01 1.68 6.027708497e+01 6.027708497e+01 1.70 5.493212467e+01 5.493212467e+01 1.72 4.998124626e+01 4.998124626e+01 1.74 4.539587266e+01 4.539587266e+01 1.76 4.114910541e+01 4.114910541e+01 1.78 3.721580450e+01 3.721580450e+01 1.80 3.357267523e+01 3.357267523e+01 1.82 3.019832423e+01 3.019832423e+01 1.84 2.707324057e+01 2.707324057e+01 1.86 2.418022217e+01 2.418022217e+01 1.88 2.151104893e+01 2.151104893e+01 1.90 1.905238810e+01 1.905238810e+01 1.92 1.679047108e+01 1.679047108e+01 1.94 1.471194709e+01 1.471194709e+01 1.96 1.280248407e+01 1.280248407e+01 1.98 1.104821241e+01 1.104821241e+01 2.00 9.435777212e+00 9.435777212e+00 2.02 7.952565924e+00 7.952565924e+00 2.04 6.586970998e+00 6.586970998e+00 2.06 5.328594161e+00 5.328594161e+00 2.08 4.168326244e+00 4.168326244e+00 2.10 3.098291077e+00 3.098291077e+00 2.12 2.111692331e+00 2.111692331e+00 2.14 1.202622373e+00 1.202622373e+00 2.16 3.658804981e-01 3.658804981e-01 2.18 -4.031782901e-01 -4.031782901e-01 2.20 -1.108764615e+00 -1.108764615e+00 2.22 -1.754755981e+00 -1.754755981e+00 2.24 -2.344786423e+00 -2.344786423e+00 2.26 -2.882327131e+00 -2.882327131e+00 2.28 -3.370754881e+00 -3.370754881e+00 2.30 -3.813401518e+00 -3.813401518e+00 2.32 -4.213577146e+00 -4.213577146e+00 2.34 -4.574562252e+00 -4.574562252e+00 2.36 -4.899569760e+00 -4.899569760e+00 2.38 -5.191685399e+00 -5.191685399e+00 2.40 -5.453800996e+00 -5.453800996e+00 2.42 -5.688557400e+00 -5.688557400e+00 2.44 -5.898310296e+00 -5.898310296e+00 2.46 -6.085124666e+00 -6.085124666e+00 2.48 -6.250795362e+00 -6.250795362e+00 2.50 -6.396885325e+00 -6.396885325e+00 2.52 -6.524770964e+00 -6.524770964e+00 2.54 -6.635682420e+00 -6.635682420e+00 2.56 -6.730563115e+00 -6.730563115e+00 2.58 -6.810521402e+00 -6.810521402e+00 2.60 -6.876734118e+00 -6.876734118e+00 2.62 -6.930276733e+00 -6.930276733e+00 2.64 -6.972134993e+00 -6.972134993e+00 2.66 -7.003211270e+00 -7.003211270e+00 2.68 -7.024328098e+00 -7.024328098e+00 2.70 -7.036230249e+00 -7.036230249e+00 2.72 -7.039419196e+00 -7.039419196e+00 2.74 -7.033958710e+00 -7.033958710e+00 2.76 -7.020088439e+00 -7.020088439e+00 2.78 -6.998088495e+00 -6.998088495e+00 2.80 -6.968242536e+00 -6.968242536e+00 2.82 -6.930834233e+00 -6.930834233e+00 2.84 -6.886146049e+00 -6.886146049e+00 2.86 -6.834459224e+00 -6.834459224e+00 2.88 -6.776054018e+00 -6.776054018e+00 2.90 -6.711159636e+00 -6.711159636e+00 2.92 -6.639866808e+00 -6.639866808e+00 2.94 -6.562276258e+00 -6.562276258e+00 2.96 -6.478520707e+00 -6.478520707e+00 2.98 -6.388750339e+00 -6.388750339e+00 3.00 -6.293120403e+00 -6.293120403e+00 3.02 -6.191775513e+00 -6.191775513e+00 3.04 -6.084833564e+00 -6.084833564e+00 3.06 -5.972390592e+00 -5.972390592e+00 3.08 -5.854521265e+00 -5.854521265e+00 3.10 -5.731284908e+00 -5.731284908e+00 3.12 -5.602737257e+00 -5.602737257e+00 3.14 -5.468945423e+00 -5.468945423e+00 3.16 -5.329937357e+00 -5.329937357e+00 3.18 -5.185726605e+00 -5.185726605e+00 3.20 -5.036444274e+00 -5.036444274e+00 3.22 -4.882357487e+00 -4.882357487e+00 3.24 -4.723876748e+00 -4.723876748e+00 3.26 -4.561558185e+00 -4.561558185e+00 3.28 -4.396098271e+00 -4.396098271e+00 3.30 -4.228319302e+00 -4.228319302e+00 3.32 -4.059145103e+00 -4.059145103e+00 3.34 -3.889567908e+00 -3.889567908e+00 3.36 -3.720608698e+00 -3.720608698e+00 3.38 -3.553274384e+00 -3.553274384e+00 3.40 -3.388515569e+00 -3.388515569e+00 3.42 -3.227188490e+00 -3.227188490e+00 3.44 -3.070023948e+00 -3.070023948e+00 3.46 -2.917605049e+00 -2.917605049e+00 3.48 -2.770354551e+00 -2.770354551e+00 3.50 -2.628531711e+00 -2.628531711e+00 3.52 -2.492237890e+00 -2.492237890e+00 3.54 -2.361429773e+00 -2.361429773e+00 3.56 -2.235938779e+00 -2.235938779e+00 3.58 -2.115495139e+00 -2.115495139e+00 3.60 -1.999755079e+00 -1.999755079e+00 3.62 -1.888329555e+00 -1.888329555e+00 3.64 -1.780813078e+00 -1.780813078e+00 3.66 -1.676811289e+00 -1.676811289e+00 3.68 -1.575966032e+00 -1.575966032e+00 3.70 -1.477976840e+00 -1.477976840e+00 3.72 -1.382617834e+00 -1.382617834e+00 3.74 -1.289749198e+00 -1.289749198e+00 3.76 -1.199322584e+00 -1.199322584e+00 3.78 -1.111380042e+00 -1.111380042e+00 3.80 -1.026046504e+00 -1.026046504e+00 3.82 -9.435162815e-01 -9.435162815e-01 3.84 -8.640346226e-01 -8.640346226e-01 3.86 -7.878758360e-01 -7.878758360e-01 3.88 -7.153199176e-01 -7.153199176e-01 3.90 -6.466297340e-01 -6.466297340e-01 3.92 -5.820308031e-01 -5.820308031e-01 3.94 -5.216952383e-01 -5.216952383e-01 3.96 -4.657308739e-01 -4.657308739e-01 3.98 -4.141759878e-01 -4.141759878e-01 4.00 -3.669993136e-01 -3.669993136e-01 4.02 -3.241043140e-01 -3.241043140e-01 4.04 -2.853384638e-01 -2.853384638e-01 4.06 -2.505026668e-01 -2.505026668e-01 4.08 -2.193623974e-01 -2.193623974e-01 4.10 -1.916590401e-01 -1.916590401e-01 4.12 -1.671204014e-01 -1.671204014e-01 4.14 -1.454698939e-01 -1.454698939e-01 4.16 -1.264341338e-01 -1.264341338e-01 4.18 -1.097488801e-01 -1.097488801e-01 4.20 -9.516339108e-02 -9.516339108e-02 4.22 -8.244336134e-02 -8.244336134e-02 4.24 -7.137265622e-02 -7.137265622e-02 4.26 -6.175407053e-02 -6.175407053e-02 4.28 -5.340933381e-02 -5.340933381e-02 4.30 -4.617855927e-02 -4.617855927e-02 4.32 -3.991931732e-02 -3.991931732e-02 4.34 -3.450545357e-02 -3.450545357e-02 4.36 -2.982577150e-02 -2.982577150e-02 4.38 -2.578265407e-02 -2.578265407e-02 4.40 -2.229072151e-02 -2.229072151e-02 4.42 -1.927552271e-02 -1.927552271e-02 4.44 -1.667217985e-02 -1.667217985e-02 4.46 -1.442391590e-02 -1.442391590e-02 4.48 -1.248245771e-02 -1.248245771e-02 4.50 -1.080599073e-02 -1.080599073e-02 4.52 -9.358230774e-03 -9.358230774e-03 4.54 -8.107766957e-03 -8.107766957e-03 4.56 -7.027454505e-03 -7.027454505e-03 4.58 -6.093865140e-03 -6.093865140e-03 4.60 -5.286796543e-03 -5.286796543e-03 4.62 -4.588839007e-03 -4.588839007e-03 4.64 -3.984995430e-03 -3.984995430e-03 4.66 -3.462349902e-03 -3.462349902e-03 4.68 -3.009779862e-03 -3.009779862e-03 4.70 -2.617706859e-03 -2.617706859e-03 4.72 -2.277881244e-03 -2.277881244e-03 4.74 -1.983196497e-03 -1.983196497e-03 4.76 -1.727529312e-03 -1.727529312e-03 4.78 -1.505602003e-03 -1.505602003e-03 4.80 -1.312864071e-03 -1.312864071e-03 4.82 -1.145391053e-03 -1.145391053e-03 4.84 -9.997963327e-04 -9.997963327e-04 4.86 -8.731566681e-04 -8.731566681e-04 4.88 -7.629475708e-04 -7.629475708e-04 4.90 -6.669879254e-04 -6.669879254e-04 4.92 -5.833924067e-04 -5.833924067e-04 4.94 -5.105305894e-04 -5.105305894e-04 4.96 -4.469918019e-04 -4.469918019e-04 4.98 -3.915549076e-04 -3.915549076e-04 5.00 -3.431623142e-04 -3.431623142e-04 5.02 -3.008976118e-04 -3.008976118e-04 5.04 -2.639663264e-04 -2.639663264e-04 5.06 -2.316793467e-04 -2.316793467e-04 5.08 -2.034386484e-04 -2.034386484e-04 5.10 -1.787249909e-04 -1.787249909e-04 5.12 -1.570873099e-04 -1.570873099e-04 5.14 -1.381335672e-04 -1.381335672e-04 5.16 -1.215228546e-04 -1.215228546e-04 5.18 -1.069585756e-04 -1.069585756e-04 5.20 -9.418255682e-05 -9.418255682e-05 5.22 -8.296995736e-05 -8.296995736e-05 5.24 -7.312486817e-05 -7.312486817e-05 5.26 -6.447650451e-05 -6.447650451e-05 5.28 -5.687591060e-05 -5.687591060e-05 5.30 -5.019310593e-05 -5.019310593e-05 5.32 -4.431461283e-05 -4.431461283e-05 5.34 -3.914131328e-05 -3.914131328e-05 5.36 -3.458659030e-05 -3.458659030e-05 5.38 -3.057471515e-05 -3.057471515e-05 5.40 -2.703944726e-05 -2.703944726e-05 5.42 -2.392281820e-05 -2.392281820e-05 5.44 -2.117407500e-05 -2.117407500e-05 5.46 -1.874876143e-05 -1.874876143e-05 5.48 -1.660791889e-05 -1.660791889e-05 5.50 -1.471739100e-05 -1.471739100e-05 5.52 -1.304721808e-05 -1.304721808e-05 5.54 -1.157110974e-05 -1.157110974e-05 5.56 -1.026598521e-05 -1.026598521e-05 5.58 -9.111572522e-06 -9.111572522e-06 5.60 -8.090058923e-06 -8.090058923e-06 5.62 -7.185785717e-06 -7.185785717e-06 5.64 -6.384981855e-06 -6.384981855e-06 5.66 -5.675531199e-06 -5.675531199e-06 5.68 -5.046769122e-06 -5.046769122e-06 5.70 -4.489304670e-06 -4.489304670e-06 5.72 -3.994864996e-06 -3.994864996e-06 5.74 -3.556159220e-06 -3.556159220e-06 5.76 -3.166759233e-06 -3.166759233e-06 5.78 -2.820995290e-06 -2.820995290e-06 5.80 -2.513864527e-06 -2.513864527e-06 5.82 -2.240950748e-06 -2.240950748e-06 5.84 -1.998354083e-06 -1.998354083e-06 5.86 -1.782629263e-06 -1.782629263e-06 5.88 -1.590731437e-06 -1.590731437e-06 5.90 -1.419968593e-06 -1.419968593e-06 5.92 -1.267959754e-06 -1.267959754e-06 5.94 -1.132598240e-06 -1.132598240e-06 5.96 -1.012019358e-06 -1.012019358e-06 5.98 -9.045719907e-07 -9.045719907e-07 6.00 -8.087935880e-07 -8.087935880e-07