# 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 = CoCuFe2 # 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 1.486055508e+02 1.486055508e+02 1.30 1.354678983e+02 1.354678983e+02 1.32 1.234425847e+02 1.234425847e+02 1.34 1.124251722e+02 1.124251722e+02 1.36 1.023248122e+02 1.023248122e+02 1.38 9.306304277e+01 9.306304277e+01 1.40 8.457120760e+01 8.457120760e+01 1.42 7.678788086e+01 7.678788086e+01 1.44 6.965688554e+01 6.965688554e+01 1.46 6.312615261e+01 6.312615261e+01 1.48 5.714740463e+01 5.714740463e+01 1.50 5.167619559e+01 5.167619559e+01 1.52 4.667175924e+01 4.667175924e+01 1.54 4.209653687e+01 4.209653687e+01 1.56 3.791562612e+01 3.791562612e+01 1.58 3.409636625e+01 3.409636625e+01 1.60 3.060813009e+01 3.060813009e+01 1.62 2.742345105e+01 2.742345105e+01 1.64 2.451688490e+01 2.451688490e+01 1.66 2.186449821e+01 2.186449821e+01 1.68 1.944419455e+01 1.944419455e+01 1.70 1.723551284e+01 1.723551284e+01 1.72 1.521949329e+01 1.521949329e+01 1.74 1.337861158e+01 1.337861158e+01 1.76 1.169683738e+01 1.169683738e+01 1.78 1.015979330e+01 1.015979330e+01 1.80 8.754879537e+00 8.754879537e+00 1.82 7.471223081e+00 7.471223081e+00 1.84 6.299419382e+00 6.299419382e+00 1.86 5.231154576e+00 5.231154576e+00 1.88 4.258832869e+00 4.258832869e+00 1.90 3.375291569e+00 3.375291569e+00 1.92 2.573631937e+00 2.573631937e+00 1.94 1.847161320e+00 1.847161320e+00 1.96 1.189421477e+00 1.189421477e+00 1.98 5.942634589e-01 5.942634589e-01 2.00 5.593120728e-02 5.593120728e-02 2.02 -4.308688076e-01 -4.308688076e-01 2.04 -8.709230631e-01 -8.709230631e-01 2.06 -1.268497197e+00 -1.268497197e+00 2.08 -1.627353128e+00 -1.627353128e+00 2.10 -1.950792576e+00 -1.950792576e+00 2.12 -2.241719463e+00 -2.241719463e+00 2.14 -2.502711037e+00 -2.502711037e+00 2.16 -2.736086560e+00 -2.736086560e+00 2.18 -2.943965130e+00 -2.943965130e+00 2.20 -3.128309658e+00 -3.128309658e+00 2.22 -3.290958585e+00 -3.290958585e+00 2.24 -3.433648410e+00 -3.433648410e+00 2.26 -3.558029402e+00 -3.558029402e+00 2.28 -3.665675380e+00 -3.665675380e+00 2.30 -3.758086342e+00 -3.758086342e+00 2.32 -3.836682276e+00 -3.836682276e+00 2.34 -3.902834015e+00 -3.902834015e+00 2.36 -3.957711964e+00 -3.957711964e+00 2.38 -4.002310107e+00 -4.002310107e+00 2.40 -4.037493452e+00 -4.037493452e+00 2.42 -4.064006035e+00 -4.064006035e+00 2.44 -4.082496069e+00 -4.082496069e+00 2.46 -4.093603212e+00 -4.093603212e+00 2.48 -4.098058160e+00 -4.098058160e+00 2.50 -4.095979400e+00 -4.095979400e+00 2.52 -4.087481034e+00 -4.087481034e+00 2.54 -4.072772596e+00 -4.072772596e+00 2.56 -4.052143469e+00 -4.052143469e+00 2.58 -4.025943485e+00 -4.025943485e+00 2.60 -3.994408962e+00 -3.994408962e+00 2.62 -3.957601817e+00 -3.957601817e+00 2.64 -3.915655015e+00 -3.915655015e+00 2.66 -3.868755493e+00 -3.868755493e+00 2.68 -3.817128469e+00 -3.817128469e+00 2.70 -3.761029584e+00 -3.761029584e+00 2.72 -3.700741367e+00 -3.700741367e+00 2.74 -3.636570632e+00 -3.636570632e+00 2.76 -3.568844901e+00 -3.568844901e+00 2.78 -3.497907949e+00 -3.497907949e+00 2.80 -3.424115538e+00 -3.424115538e+00 2.82 -3.347832010e+00 -3.347832010e+00 2.84 -3.269427171e+00 -3.269427171e+00 2.86 -3.189272103e+00 -3.189272103e+00 2.88 -3.107732778e+00 -3.107732778e+00 2.90 -3.025161417e+00 -3.025161417e+00 2.92 -2.941886839e+00 -2.941886839e+00 2.94 -2.858205757e+00 -2.858205757e+00 2.96 -2.774376841e+00 -2.774376841e+00 2.98 -2.690618526e+00 -2.690618526e+00 3.00 -2.607110349e+00 -2.607110349e+00 3.02 -2.523996701e+00 -2.523996701e+00 3.04 -2.441391580e+00 -2.441391580e+00 3.06 -2.359383364e+00 -2.359383364e+00 3.08 -2.278039577e+00 -2.278039577e+00 3.10 -2.197412379e+00 -2.197412379e+00 3.12 -2.117545699e+00 -2.117545699e+00 3.14 -2.038484330e+00 -2.038484330e+00 3.16 -1.960284345e+00 -1.960284345e+00 3.18 -1.883023400e+00 -1.883023400e+00 3.20 -1.806809152e+00 -1.806809152e+00 3.22 -1.731784225e+00 -1.731784225e+00 3.24 -1.658126645e+00 -1.658126645e+00 3.26 -1.586045358e+00 -1.586045358e+00 3.28 -1.515771103e+00 -1.515771103e+00 3.30 -1.447543601e+00 -1.447543601e+00 3.32 -1.381596576e+00 -1.381596576e+00 3.34 -1.318142425e+00 -1.318142425e+00 3.36 -1.257358451e+00 -1.257358451e+00 3.38 -1.199376227e+00 -1.199376227e+00 3.40 -1.144275166e+00 -1.144275166e+00 3.42 -1.092080635e+00 -1.092080635e+00 3.44 -1.042766298e+00 -1.042766298e+00 3.46 -9.962598558e-01 -9.962598558e-01 3.48 -9.524510630e-01 -9.524510630e-01 3.50 -9.112008369e-01 -9.112008369e-01 3.52 -8.723504431e-01 -8.723504431e-01 3.54 -8.357299760e-01 -8.357299760e-01 3.56 -8.011656528e-01 -8.011656528e-01 3.58 -7.684857056e-01 -7.684857056e-01 3.60 -7.375248686e-01 -7.375248686e-01 3.62 -7.081275970e-01 -7.081275970e-01 3.64 -6.801502322e-01 -6.801502322e-01 3.66 -6.534623497e-01 -6.534623497e-01 3.68 -6.279475047e-01 -6.279475047e-01 3.70 -6.035035489e-01 -6.035035489e-01 3.72 -5.800426280e-01 -5.800426280e-01 3.74 -5.574909053e-01 -5.574909053e-01 3.76 -5.357879995e-01 -5.357879995e-01 3.78 -5.148860821e-01 -5.148860821e-01 3.80 -4.947485720e-01 -4.947485720e-01 3.82 -4.753483881e-01 -4.753483881e-01 3.84 -4.566657845e-01 -4.566657845e-01 3.86 -4.386858768e-01 -4.386858768e-01 3.88 -4.213960516e-01 -4.213960516e-01 3.90 -4.047835069e-01 -4.047835069e-01 3.92 -3.888331737e-01 -3.888331737e-01 3.94 -3.735262162e-01 -3.735262162e-01 3.96 -3.588392113e-01 -3.588392113e-01 3.98 -3.447439997e-01 -3.447439997e-01 4.00 -3.312081015e-01 -3.312081015e-01 4.02 -3.181955379e-01 -3.181955379e-01 4.04 -3.056678827e-01 -3.056678827e-01 4.06 -2.935852725e-01 -2.935852725e-01 4.08 -2.819076590e-01 -2.819076590e-01 4.10 -2.705960452e-01 -2.705960452e-01 4.12 -2.596129983e-01 -2.596129983e-01 4.14 -2.489234826e-01 -2.489234826e-01 4.16 -2.384955989e-01 -2.384955989e-01 4.18 -2.283012405e-01 -2.283012405e-01 4.20 -2.183166771e-01 -2.183166771e-01 4.22 -2.085230590e-01 -2.085230590e-01 4.24 -1.989068149e-01 -1.989068149e-01 4.26 -1.894599096e-01 -1.894599096e-01 4.28 -1.801799268e-01 -1.801799268e-01 4.30 -1.710699557e-01 -1.710699557e-01 4.32 -1.621382738e-01 -1.621382738e-01 4.34 -1.533978371e-01 -1.533978371e-01 4.36 -1.448655192e-01 -1.448655192e-01 4.38 -1.365613171e-01 -1.365613171e-01 4.40 -1.285076150e-01 -1.285076150e-01 4.42 -1.207277901e-01 -1.207277901e-01 4.44 -1.132449701e-01 -1.132449701e-01 4.46 -1.060807310e-01 -1.060807310e-01 4.48 -9.925379882e-02 -9.925379882e-02 4.50 -9.277885633e-02 -9.277885633e-02 4.52 -8.666557001e-02 -8.666557001e-02 4.54 -8.091793650e-02 -8.091793650e-02 4.56 -7.553401300e-02 -7.553401300e-02 4.58 -7.050604597e-02 -7.050604597e-02 4.60 -6.582096216e-02 -6.582096216e-02 4.62 -6.146114618e-02 -6.146114618e-02 4.64 -5.740540755e-02 -5.740540755e-02 4.66 -5.363003668e-02 -5.363003668e-02 4.68 -5.010986242e-02 -5.010986242e-02 4.70 -4.681924504e-02 -4.681924504e-02 4.72 -4.373296333e-02 -4.373296333e-02 4.74 -4.082697630e-02 -4.082697630e-02 4.76 -3.807905648e-02 -3.807905648e-02 4.78 -3.546930067e-02 -3.546930067e-02 4.80 -3.298052695e-02 -3.298052695e-02 4.82 -3.059856417e-02 -3.059856417e-02 4.84 -2.831242885e-02 -2.831242885e-02 4.86 -2.611438873e-02 -2.611438873e-02 4.88 -2.399989585e-02 -2.399989585e-02 4.90 -2.196737622e-02 -2.196737622e-02 4.92 -2.001786947e-02 -2.001786947e-02 4.94 -1.815452350e-02 -1.815452350e-02 4.96 -1.638193577e-02 -1.638193577e-02 4.98 -1.470505284e-02 -1.470505284e-02 5.00 -1.312941834e-02 -1.312941834e-02 5.02 -1.166010048e-02 -1.166010048e-02 5.04 -1.030088467e-02 -1.030088467e-02 5.06 -9.053865546e-03 -9.053865546e-03 5.08 -7.919226729e-03 -7.919226729e-03 5.10 -6.895208973e-03 -6.895208973e-03 5.12 -5.978243120e-03 -5.978243120e-03 5.14 -5.163207948e-03 -5.163207948e-03 5.16 -4.443765360e-03 -4.443765360e-03 5.18 -3.812726423e-03 -3.812726423e-03 5.20 -3.262409160e-03 -3.262409160e-03 5.22 -2.784959733e-03 -2.784959733e-03 5.24 -2.372620097e-03 -2.372620097e-03 5.26 -2.017935266e-03 -2.017935266e-03 5.28 -1.713901083e-03 -1.713901083e-03 5.30 -1.454058455e-03 -1.454058455e-03 5.32 -1.232542736e-03 -1.232542736e-03 5.34 -1.044097818e-03 -1.044097818e-03 5.36 -8.840641346e-04 -8.840641346e-04 5.38 -7.483486740e-04 -7.483486740e-04 5.40 -6.333836822e-04 -6.333836822e-04 5.42 -5.360792905e-04 -5.360792905e-04 5.44 -4.537739379e-04 -4.537739379e-04 5.46 -3.841853178e-04 -3.841853178e-04 5.48 -3.253636521e-04 -3.253636521e-04 5.50 -2.756483838e-04 -2.756483838e-04 5.52 -2.336288525e-04 -2.336288525e-04 5.54 -1.981091476e-04 -1.981091476e-04 5.56 -1.680770842e-04 -1.680770842e-04 5.58 -1.426770871e-04 -1.426770871e-04 5.60 -1.211866808e-04 -1.211866808e-04 5.62 -1.029962355e-04 -1.029962355e-04 5.64 -8.759160979e-05 -8.759160979e-05 5.66 -7.453933961e-05 -7.453933961e-05 5.68 -6.347404218e-05 -6.347404218e-05 5.70 -5.408773478e-05 -5.408773478e-05 5.72 -4.612079701e-05 -4.612079701e-05 5.74 -3.935433744e-05 -3.935433744e-05 5.76 -3.360375552e-05 -3.360375552e-05 5.78 -2.871331744e-05 -2.871331744e-05 5.80 -2.455159004e-05 -2.455159004e-05 5.82 -2.100759922e-05 -2.100759922e-05 5.84 -1.798759916e-05 -1.798759916e-05 5.86 -1.541235579e-05 -1.541235579e-05 5.88 -1.321486296e-05 -1.321486296e-05 5.90 -1.133842215e-05 -1.133842215e-05 5.92 -9.735027779e-06 -9.735027779e-06 5.94 -8.364009044e-06 -8.364009044e-06 5.96 -7.190887263e-06 -7.190887263e-06 5.98 -6.186414162e-06 -6.186414162e-06 6.00 -5.325762106e-06 -5.325762106e-06