# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Fe2MnNi # 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 2022-05-24 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 3.209140203e+02 3.209140203e+02 0.94 2.994380762e+02 2.994380762e+02 0.96 2.792927067e+02 2.792927067e+02 0.98 2.603998295e+02 2.603998295e+02 1.00 2.426860411e+02 2.426860411e+02 1.02 2.260822910e+02 2.260822910e+02 1.04 2.105235780e+02 2.105235780e+02 1.06 1.959486678e+02 1.959486678e+02 1.08 1.822998319e+02 1.822998319e+02 1.10 1.695226060e+02 1.695226060e+02 1.12 1.575655687e+02 1.575655687e+02 1.14 1.463801386e+02 1.463801386e+02 1.16 1.359203900e+02 1.359203900e+02 1.18 1.261428854e+02 1.261428854e+02 1.20 1.170065251e+02 1.170065251e+02 1.22 1.084724105e+02 1.084724105e+02 1.24 1.005037229e+02 1.005037229e+02 1.26 9.306561382e+01 9.306561382e+01 1.28 8.612510688e+01 8.612510688e+01 1.30 7.965100890e+01 7.965100890e+01 1.32 7.361382958e+01 7.361382958e+01 1.34 6.798570771e+01 6.798570771e+01 1.36 6.274034278e+01 6.274034278e+01 1.38 5.785293075e+01 5.785293075e+01 1.40 5.330010292e+01 5.330010292e+01 1.42 4.905986693e+01 4.905986693e+01 1.44 4.511154924e+01 4.511154924e+01 1.46 4.143573843e+01 4.143573843e+01 1.48 3.801422909e+01 3.801422909e+01 1.50 3.482996596e+01 3.482996596e+01 1.52 3.186698832e+01 3.186698832e+01 1.54 2.911037472e+01 2.911037472e+01 1.56 2.654618797e+01 2.654618797e+01 1.58 2.416142096e+01 2.416142096e+01 1.60 2.194394318e+01 2.194394318e+01 1.62 1.988244841e+01 1.988244841e+01 1.64 1.796640381e+01 1.796640381e+01 1.66 1.618600060e+01 1.618600060e+01 1.68 1.453210656e+01 1.453210656e+01 1.70 1.299622058e+01 1.299622058e+01 1.72 1.157042933e+01 1.157042933e+01 1.74 1.024736619e+01 1.024736619e+01 1.76 9.020172455e+00 9.020172455e+00 1.78 7.882460955e+00 7.882460955e+00 1.80 6.828281901e+00 6.828281901e+00 1.82 5.852091072e+00 5.852091072e+00 1.84 4.948720201e+00 4.948720201e+00 1.86 4.113349499e+00 4.113349499e+00 1.88 3.341482213e+00 3.341482213e+00 1.90 2.628921121e+00 2.628921121e+00 1.92 1.971746834e+00 1.971746834e+00 1.94 1.366297805e+00 1.366297805e+00 1.96 8.091519081e-01 8.091519081e-01 1.98 2.971094845e-01 2.971094845e-01 2.00 -1.728222592e-01 -1.728222592e-01 2.02 -6.034436144e-01 -6.034436144e-01 2.04 -9.973755978e-01 -9.973755978e-01 2.06 -1.357072132e+00 -1.357072132e+00 2.08 -1.684831278e+00 -1.684831278e+00 2.10 -1.982805599e+00 -1.982805599e+00 2.12 -2.253011727e+00 -2.253011727e+00 2.14 -2.497339219e+00 -2.497339219e+00 2.16 -2.717558742e+00 -2.717558742e+00 2.18 -2.915329671e+00 -2.915329671e+00 2.20 -3.092207129e+00 -3.092207129e+00 2.22 -3.249648537e+00 -3.249648537e+00 2.24 -3.389019702e+00 -3.389019702e+00 2.26 -3.511600489e+00 -3.511600489e+00 2.28 -3.618590112e+00 -3.618590112e+00 2.30 -3.711112072e+00 -3.711112072e+00 2.32 -3.790218772e+00 -3.790218772e+00 2.34 -3.856895835e+00 -3.856895835e+00 2.36 -3.912066151e+00 -3.912066151e+00 2.38 -3.956593659e+00 -3.956593659e+00 2.40 -3.991286911e+00 -3.991286911e+00 2.42 -4.016902401e+00 -4.016902401e+00 2.44 -4.034147706e+00 -4.034147706e+00 2.46 -4.043684424e+00 -4.043684424e+00 2.48 -4.046130949e+00 -4.046130949e+00 2.50 -4.042065072e+00 -4.042065072e+00 2.52 -4.032026437e+00 -4.032026437e+00 2.54 -4.016518842e+00 -4.016518842e+00 2.56 -3.996012419e+00 -3.996012419e+00 2.58 -3.970945672e+00 -3.970945672e+00 2.60 -3.941727413e+00 -3.941727413e+00 2.62 -3.908738568e+00 -3.908738568e+00 2.64 -3.872333895e+00 -3.872333895e+00 2.66 -3.832843591e+00 -3.832843591e+00 2.68 -3.790574814e+00 -3.790574814e+00 2.70 -3.745813107e+00 -3.745813107e+00 2.72 -3.698823753e+00 -3.698823753e+00 2.74 -3.649853038e+00 -3.649853038e+00 2.76 -3.599129451e+00 -3.599129451e+00 2.78 -3.546864812e+00 -3.546864812e+00 2.80 -3.493255326e+00 -3.493255326e+00 2.82 -3.438482589e+00 -3.438482589e+00 2.84 -3.382714529e+00 -3.382714529e+00 2.86 -3.326106286e+00 -3.326106286e+00 2.88 -3.268801052e+00 -3.268801052e+00 2.90 -3.210930856e+00 -3.210930856e+00 2.92 -3.152617300e+00 -3.152617300e+00 2.94 -3.093972257e+00 -3.093972257e+00 2.96 -3.035098529e+00 -3.035098529e+00 2.98 -2.976090456e+00 -2.976090456e+00 3.00 -2.917034505e+00 -2.917034505e+00 3.02 -2.858009809e+00 -2.858009809e+00 3.04 -2.799088685e+00 -2.799088685e+00 3.06 -2.740337117e+00 -2.740337117e+00 3.08 -2.681815209e+00 -2.681815209e+00 3.10 -2.623577615e+00 -2.623577615e+00 3.12 -2.565673945e+00 -2.565673945e+00 3.14 -2.508149138e+00 -2.508149138e+00 3.16 -2.451043825e+00 -2.451043825e+00 3.18 -2.394394663e+00 -2.394394663e+00 3.20 -2.338234651e+00 -2.338234651e+00 3.22 -2.282593429e+00 -2.282593429e+00 3.24 -2.227497559e+00 -2.227497559e+00 3.26 -2.172970787e+00 -2.172970787e+00 3.28 -2.119034294e+00 -2.119034294e+00 3.30 -2.065706926e+00 -2.065706926e+00 3.32 -2.013005418e+00 -2.013005418e+00 3.34 -1.960944595e+00 -1.960944595e+00 3.36 -1.909537570e+00 -1.909537570e+00 3.38 -1.858795922e+00 -1.858795922e+00 3.40 -1.808729866e+00 -1.808729866e+00 3.42 -1.759348413e+00 -1.759348413e+00 3.44 -1.710659512e+00 -1.710659512e+00 3.46 -1.662670190e+00 -1.662670190e+00 3.48 -1.615386678e+00 -1.615386678e+00 3.50 -1.568814520e+00 -1.568814520e+00 3.52 -1.522958683e+00 -1.522958683e+00 3.54 -1.477823648e+00 -1.477823648e+00 3.56 -1.433413494e+00 -1.433413494e+00 3.58 -1.389731971e+00 -1.389731971e+00 3.60 -1.346782563e+00 -1.346782563e+00 3.62 -1.304568540e+00 -1.304568540e+00 3.64 -1.263093000e+00 -1.263093000e+00 3.66 -1.222358899e+00 -1.222358899e+00 3.68 -1.182369075e+00 -1.182369075e+00 3.70 -1.143126257e+00 -1.143126257e+00 3.72 -1.104633067e+00 -1.104633067e+00 3.74 -1.066892009e+00 -1.066892009e+00 3.76 -1.029905456e+00 -1.029905456e+00 3.78 -9.936756199e-01 -9.936756199e-01 3.80 -9.582045163e-01 -9.582045163e-01 3.82 -9.234435830e-01 -9.234435830e-01 3.84 -8.850017082e-01 -8.850017082e-01 3.86 -8.225393019e-01 -8.225393019e-01 3.88 -7.133145630e-01 -7.133145630e-01 3.90 -6.249287500e-01 -6.249287500e-01 3.92 -5.996757573e-01 -5.996757573e-01 3.94 -5.751400806e-01 -5.751400806e-01 3.96 -5.513137193e-01 -5.513137193e-01 3.98 -5.281877013e-01 -5.281877013e-01 4.00 -5.057521162e-01 -5.057521162e-01 4.02 -4.839961546e-01 -4.839961546e-01 4.04 -4.629081564e-01 -4.629081564e-01 4.06 -4.424756641e-01 -4.424756641e-01 4.08 -4.226854827e-01 -4.226854827e-01 4.10 -4.035237454e-01 -4.035237454e-01 4.12 -3.849759826e-01 -3.849759826e-01 4.14 -3.670271950e-01 -3.670271950e-01 4.16 -3.496619297e-01 -3.496619297e-01 4.18 -3.328643573e-01 -3.328643573e-01 4.20 -3.166183504e-01 -3.166183504e-01 4.22 -3.009075617e-01 -3.009075617e-01 4.24 -2.857155008e-01 -2.857155008e-01 4.26 -2.710256106e-01 -2.710256106e-01 4.28 -2.568213393e-01 -2.568213393e-01 4.30 -2.430862109e-01 -2.430862109e-01 4.32 -2.298038915e-01 -2.298038915e-01 4.34 -2.169582506e-01 -2.169582506e-01 4.36 -2.045334192e-01 -2.045334192e-01 4.38 -1.925138423e-01 -1.925138423e-01 4.40 -1.808843258e-01 -1.808843258e-01 4.42 -1.692251366e-01 -1.692251366e-01 4.44 -1.527569506e-01 -1.527569506e-01 4.46 -1.206824157e-01 -1.206824157e-01 4.48 -6.226829448e-02 -6.226829448e-02 4.50 -1.877297598e-22 -1.878084579e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 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