# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al # implementation = EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000 # composition = AlNb2Ti # 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 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan nan 1.72 nan nan 1.74 nan nan 1.76 nan nan 1.78 nan nan 1.80 nan nan 1.82 nan nan 1.84 nan nan 1.86 nan nan 1.88 nan nan 1.90 nan nan 1.92 nan nan 1.94 nan nan 1.96 nan nan 1.98 6.704161366e+02 6.704161366e+02 2.00 3.879376430e+02 3.879376430e+02 2.02 2.073038114e+02 2.073038114e+02 2.04 9.829005527e+01 9.829005527e+01 2.06 3.787494681e+01 3.787494681e+01 2.08 8.676730612e+00 8.676730612e+00 2.10 -2.278068097e+00 -2.278068097e+00 2.12 -4.509683255e+00 -4.509683255e+00 2.14 -4.615465836e+00 -4.615465836e+00 2.16 -4.696139251e+00 -4.696139251e+00 2.18 -4.777689701e+00 -4.777689701e+00 2.20 -4.858059143e+00 -4.858059143e+00 2.22 -4.938424295e+00 -4.938424295e+00 2.24 -5.022888336e+00 -5.022888336e+00 2.26 -5.109102321e+00 -5.109102321e+00 2.28 -5.194319991e+00 -5.194319991e+00 2.30 -5.275950854e+00 -5.275950854e+00 2.32 -5.353781327e+00 -5.353781327e+00 2.34 -5.482296542e+00 -5.482296542e+00 2.36 -5.574273342e+00 -5.574273342e+00 2.38 -5.659708148e+00 -5.659708148e+00 2.40 -5.742693256e+00 -5.742693256e+00 2.42 -5.822493739e+00 -5.822493739e+00 2.44 -5.898411266e+00 -5.898411266e+00 2.46 -5.970433455e+00 -5.970433455e+00 2.48 -6.078504398e+00 -6.078504398e+00 2.50 -5.666828531e+00 -5.666828531e+00 2.52 -5.728726367e+00 -5.728726367e+00 2.54 -5.784501713e+00 -5.784501713e+00 2.56 -5.834574762e+00 -5.834574762e+00 2.58 -5.878738602e+00 -5.878738602e+00 2.60 -5.917648278e+00 -5.917648278e+00 2.62 -5.952303011e+00 -5.952303011e+00 2.64 -5.982696253e+00 -5.982696253e+00 2.66 -6.008297170e+00 -6.008297170e+00 2.68 -6.028956030e+00 -6.028956030e+00 2.70 -6.044812297e+00 -6.044812297e+00 2.72 -6.056149412e+00 -6.056149412e+00 2.74 -6.063382481e+00 -6.063382481e+00 2.76 -6.066898471e+00 -6.066898471e+00 2.78 -6.065953874e+00 -6.065953874e+00 2.80 -6.060651431e+00 -6.060651431e+00 2.82 -6.051748259e+00 -6.051748259e+00 2.84 -6.039477506e+00 -6.039477506e+00 2.86 -6.023979741e+00 -6.023979741e+00 2.88 -6.005380252e+00 -6.005380252e+00 2.90 -5.983800749e+00 -5.983800749e+00 2.92 -5.959402737e+00 -5.959402737e+00 2.94 -5.932352702e+00 -5.932352702e+00 2.96 -5.902887315e+00 -5.902887315e+00 2.98 -5.871266006e+00 -5.871266006e+00 3.00 -5.837717138e+00 -5.837717138e+00 3.02 -5.802367304e+00 -5.802367304e+00 3.04 -5.765285175e+00 -5.765285175e+00 3.06 -5.764963621e+00 -5.764963621e+00 3.08 -5.742086172e+00 -5.742086172e+00 3.10 -5.714213336e+00 -5.714213336e+00 3.12 -5.681589160e+00 -5.681589160e+00 3.14 -5.646127237e+00 -5.646127237e+00 3.16 -5.608481103e+00 -5.608481103e+00 3.18 -5.568712872e+00 -5.568712872e+00 3.20 -5.526877575e+00 -5.526877575e+00 3.22 -5.483017447e+00 -5.483017447e+00 3.24 -5.437164901e+00 -5.437164901e+00 3.26 -5.389341051e+00 -5.389341051e+00 3.28 -5.339591323e+00 -5.339591323e+00 3.30 -5.287970197e+00 -5.287970197e+00 3.32 -5.234537546e+00 -5.234537546e+00 3.34 -5.179348761e+00 -5.179348761e+00 3.36 -5.122467853e+00 -5.122467853e+00 3.38 -5.063984576e+00 -5.063984576e+00 3.40 -5.003995877e+00 -5.003995877e+00 3.42 -4.942493526e+00 -4.942493526e+00 3.44 -4.879418217e+00 -4.879418217e+00 3.46 -4.814854950e+00 -4.814854950e+00 3.48 -4.748876858e+00 -4.748876858e+00 3.50 -4.681780360e+00 -4.681780360e+00 3.52 -4.614327416e+00 -4.614327416e+00 3.54 -4.546641585e+00 -4.546641585e+00 3.56 -4.478800101e+00 -4.478800101e+00 3.58 -4.410881321e+00 -4.410881321e+00 3.60 -4.342970910e+00 -4.342970910e+00 3.62 -4.274908413e+00 -4.274908413e+00 3.64 -4.206540383e+00 -4.206540383e+00 3.66 -4.137971761e+00 -4.137971761e+00 3.68 -4.069313056e+00 -4.069313056e+00 3.70 -4.000676767e+00 -4.000676767e+00 3.72 -3.932175239e+00 -3.932175239e+00 3.74 -3.863928826e+00 -3.863928826e+00 3.76 -3.796033677e+00 -3.796033677e+00 3.78 -3.728612034e+00 -3.728612034e+00 3.80 -3.661987900e+00 -3.661987900e+00 3.82 -3.596477196e+00 -3.596477196e+00 3.84 -3.532381595e+00 -3.532381595e+00 3.86 -3.470022993e+00 -3.470022993e+00 3.88 -3.409676256e+00 -3.409676256e+00 3.90 -3.350812854e+00 -3.350812854e+00 3.92 -3.290053795e+00 -3.290053795e+00 3.94 -3.226853383e+00 -3.226853383e+00 3.96 -3.161598137e+00 -3.161598137e+00 3.98 -3.094655706e+00 -3.094655706e+00 4.00 -3.026374371e+00 -3.026374371e+00 4.02 -2.957088134e+00 -2.957088134e+00 4.04 -2.887111942e+00 -2.887111942e+00 4.06 -2.816740056e+00 -2.816740056e+00 4.08 -2.746252554e+00 -2.746252554e+00 4.10 -2.675915179e+00 -2.675915179e+00 4.12 -2.605973878e+00 -2.605973878e+00 4.14 -2.536632463e+00 -2.536632463e+00 4.16 -2.468022719e+00 -2.468022719e+00 4.18 -2.400152032e+00 -2.400152032e+00 4.20 -2.333214980e+00 -2.333214980e+00 4.22 -2.267412613e+00 -2.267412613e+00 4.24 -2.202787604e+00 -2.202787604e+00 4.26 -2.139262757e+00 -2.139262757e+00 4.28 -2.076834719e+00 -2.076834719e+00 4.30 -2.015650228e+00 -2.015650228e+00 4.32 -1.956261154e+00 -1.956261154e+00 4.34 -1.899097040e+00 -1.899097040e+00 4.36 -1.844612452e+00 -1.844612452e+00 4.38 -1.792131026e+00 -1.792131026e+00 4.40 -1.741046078e+00 -1.741046078e+00 4.42 -1.690037445e+00 -1.690037445e+00 4.44 -1.638674677e+00 -1.638674677e+00 4.46 -1.588239588e+00 -1.588239588e+00 4.48 -1.539943936e+00 -1.539943936e+00 4.50 -1.496355130e+00 -1.496355130e+00 4.52 -1.458269401e+00 -1.458269401e+00 4.54 -1.424643694e+00 -1.424643694e+00 4.56 -1.396473229e+00 -1.396473229e+00 4.58 -1.372977585e+00 -1.372977585e+00 4.60 -1.349836370e+00 -1.349836370e+00 4.62 -1.323357466e+00 -1.323357466e+00 4.64 -1.292795430e+00 -1.292795430e+00 4.66 -1.256935285e+00 -1.256935285e+00 4.68 -1.214188493e+00 -1.214188493e+00 4.70 -1.164012168e+00 -1.164012168e+00 4.72 -1.108308564e+00 -1.108308564e+00 4.74 -1.049971399e+00 -1.049971399e+00 4.76 -8.452272083e-01 -8.452272083e-01 4.78 -7.887625270e-01 -7.887625270e-01 4.80 -7.342436021e-01 -7.342436021e-01 4.82 -6.800291185e-01 -6.800291185e-01 4.84 -6.264542207e-01 -6.264542207e-01 4.86 -5.742482249e-01 -5.742482249e-01 4.88 -5.239660794e-01 -5.239660794e-01 4.90 -4.760424438e-01 -4.760424438e-01 4.92 -4.308244578e-01 -4.308244578e-01 4.94 -3.885620757e-01 -3.885620757e-01 4.96 -3.493082341e-01 -3.493082341e-01 4.98 -3.127238629e-01 -3.127238629e-01 5.00 -2.786965527e-01 -2.786965527e-01 5.02 -2.471302829e-01 -2.471302829e-01 5.04 -2.179228370e-01 -2.179228370e-01 5.06 -1.909686591e-01 -1.909686591e-01 5.08 -1.661597638e-01 -1.661597638e-01 5.10 -1.433871409e-01 -1.433871409e-01 5.12 -1.225417220e-01 -1.225417220e-01 5.14 -1.035162765e-01 -1.035162765e-01 5.16 -8.620400308e-02 -8.620400308e-02 5.18 -7.059333301e-02 -7.059333301e-02 5.20 -5.659975349e-02 -5.659975349e-02 5.22 -4.401829017e-02 -4.401829017e-02 5.24 -3.268003813e-02 -3.268003813e-02 5.26 -2.244310450e-02 -2.244310450e-02 5.28 -1.318840261e-02 -1.318840261e-02 5.30 -4.812725630e-03 -4.812725630e-03 5.32 2.773778936e-03 2.773778936e-03 5.34 9.652304728e-03 9.652304728e-03 5.36 1.589676105e-02 1.589676105e-02 5.38 2.157658818e-02 2.157658818e-02 5.40 2.674954289e-02 2.674954289e-02 5.42 3.146599146e-02 3.146599146e-02 5.44 3.577325953e-02 3.577325953e-02 5.46 3.971705786e-02 3.971705786e-02 5.48 4.334251385e-02 4.334251385e-02 5.50 4.650777493e-02 4.650777493e-02 5.52 4.897413730e-02 4.897413730e-02 5.54 5.080497039e-02 5.080497039e-02 5.56 5.206695658e-02 5.206695658e-02 5.58 5.282510018e-02 5.282510018e-02 5.60 5.314331825e-02 5.314331825e-02 5.62 5.308334058e-02 5.308334058e-02 5.64 5.270464410e-02 5.270464410e-02 5.66 5.206416398e-02 5.206416398e-02 5.68 5.121529912e-02 5.121529912e-02 5.70 5.020802191e-02 5.020802191e-02 5.72 4.908794047e-02 4.908794047e-02 5.74 4.789642857e-02 4.789642857e-02 5.76 4.666992423e-02 4.666992423e-02 5.78 4.544011287e-02 4.544011287e-02 5.80 4.423356526e-02 4.423356526e-02 5.82 4.307189597e-02 4.307189597e-02 5.84 4.197186479e-02 4.197186479e-02 5.86 2.801916971e-02 2.801916971e-02 5.88 2.386089351e-02 2.386089351e-02 5.90 2.007479202e-02 2.007479202e-02 5.92 1.665963193e-02 1.665963193e-02 5.94 1.361068580e-02 1.361068580e-02 5.96 1.092005186e-02 1.092005186e-02 5.98 8.576928070e-03 8.576928070e-03 6.00 6.567833148e-03 6.567833148e-03