# 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 = Co2FeTa # 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 1.973290409e+02 1.973290409e+02 1.30 1.808660666e+02 1.808660666e+02 1.32 1.657338124e+02 1.657338124e+02 1.34 1.518159370e+02 1.518159370e+02 1.36 1.390097166e+02 1.390097166e+02 1.38 1.272245978e+02 1.272245978e+02 1.40 1.163799779e+02 1.163799779e+02 1.42 1.064028681e+02 1.064028681e+02 1.44 9.722565449e+01 9.722565449e+01 1.46 8.878445444e+01 8.878445444e+01 1.48 8.101849778e+01 8.101849778e+01 1.50 7.387032922e+01 7.387032922e+01 1.52 6.728634878e+01 6.728634878e+01 1.54 6.121745395e+01 6.121745395e+01 1.56 5.561960853e+01 5.561960853e+01 1.58 5.045399746e+01 5.045399746e+01 1.60 4.568656120e+01 4.568656120e+01 1.62 4.128708329e+01 4.128708329e+01 1.64 3.722820580e+01 3.722820580e+01 1.66 3.348468364e+01 3.348468364e+01 1.68 3.003300267e+01 3.003300267e+01 1.70 2.685352624e+01 2.685352624e+01 1.72 2.392992203e+01 2.392992203e+01 1.74 2.124277326e+01 2.124277326e+01 1.76 1.877398370e+01 1.877398370e+01 1.78 1.650817131e+01 1.650817131e+01 1.80 1.443074525e+01 1.443074525e+01 1.82 1.252778713e+01 1.252778713e+01 1.84 1.078656709e+01 1.078656709e+01 1.86 9.195316081e+00 9.195316081e+00 1.88 7.742997026e+00 7.742997026e+00 1.90 6.419111479e+00 6.419111479e+00 1.92 5.213559837e+00 5.213559837e+00 1.94 4.116570140e+00 4.116570140e+00 1.96 3.118704040e+00 3.118704040e+00 1.98 2.210934436e+00 2.210934436e+00 2.00 1.384778017e+00 1.384778017e+00 2.02 6.324535062e-01 6.324535062e-01 2.04 -5.298117578e-02 -5.298117578e-02 2.06 -6.775614541e-01 -6.775614541e-01 2.08 -1.246440714e+00 -1.246440714e+00 2.10 -1.763994255e+00 -1.763994255e+00 2.12 -2.233967821e+00 -2.233967821e+00 2.14 -2.659631787e+00 -2.659631787e+00 2.16 -3.043911578e+00 -3.043911578e+00 2.18 -3.389481982e+00 -3.389481982e+00 2.20 -3.698829847e+00 -3.698829847e+00 2.22 -3.974298580e+00 -3.974298580e+00 2.24 -4.218126218e+00 -4.218126218e+00 2.26 -4.432481478e+00 -4.432481478e+00 2.28 -4.619495329e+00 -4.619495329e+00 2.30 -4.781279971e+00 -4.781279971e+00 2.32 -4.919782836e+00 -4.919782836e+00 2.34 -5.037206550e+00 -5.037206550e+00 2.36 -5.135838258e+00 -5.135838258e+00 2.38 -5.217801275e+00 -5.217801275e+00 2.40 -5.285002841e+00 -5.285002841e+00 2.42 -5.339049240e+00 -5.339049240e+00 2.44 -5.380836941e+00 -5.380836941e+00 2.46 -5.410969313e+00 -5.410969313e+00 2.48 -5.430090665e+00 -5.430090665e+00 2.50 -5.438864857e+00 -5.438864857e+00 2.52 -5.437964938e+00 -5.437964938e+00 2.54 -5.428074847e+00 -5.428074847e+00 2.56 -5.409896644e+00 -5.409896644e+00 2.58 -5.384153990e+00 -5.384153990e+00 2.60 -5.351643353e+00 -5.351643353e+00 2.62 -5.313098971e+00 -5.313098971e+00 2.64 -5.269117398e+00 -5.269117398e+00 2.66 -5.220241822e+00 -5.220241822e+00 2.68 -5.166943893e+00 -5.166943893e+00 2.70 -5.109624223e+00 -5.109624223e+00 2.72 -5.048628724e+00 -5.048628724e+00 2.74 -4.984270444e+00 -4.984270444e+00 2.76 -4.916834647e+00 -4.916834647e+00 2.78 -4.846525898e+00 -4.846525898e+00 2.80 -4.773524885e+00 -4.773524885e+00 2.82 -4.698054979e+00 -4.698054979e+00 2.84 -4.620375869e+00 -4.620375869e+00 2.86 -4.540772281e+00 -4.540772281e+00 2.88 -4.459534625e+00 -4.459534625e+00 2.90 -4.376862289e+00 -4.376862289e+00 2.92 -4.292887532e+00 -4.292887532e+00 2.94 -4.207742614e+00 -4.207742614e+00 2.96 -4.121552682e+00 -4.121552682e+00 2.98 -4.034431260e+00 -4.034431260e+00 3.00 -3.946479379e+00 -3.946479379e+00 3.02 -3.857786360e+00 -3.857786360e+00 3.04 -3.768430341e+00 -3.768430341e+00 3.06 -3.678477527e+00 -3.678477527e+00 3.08 -3.587980633e+00 -3.587980633e+00 3.10 -3.496978178e+00 -3.496978178e+00 3.12 -3.405496616e+00 -3.405496616e+00 3.14 -3.313556505e+00 -3.313556505e+00 3.16 -3.221182508e+00 -3.221182508e+00 3.18 -3.128415751e+00 -3.128415751e+00 3.20 -3.035326429e+00 -3.035326429e+00 3.22 -2.942024541e+00 -2.942024541e+00 3.24 -2.848667017e+00 -2.848667017e+00 3.26 -2.755460032e+00 -2.755460032e+00 3.28 -2.662655905e+00 -2.662655905e+00 3.30 -2.570544545e+00 -2.570544545e+00 3.32 -2.479440122e+00 -2.479440122e+00 3.34 -2.389664238e+00 -2.389664238e+00 3.36 -2.301527438e+00 -2.301527438e+00 3.38 -2.215311136e+00 -2.215311136e+00 3.40 -2.131252001e+00 -2.131252001e+00 3.42 -2.049530396e+00 -2.049530396e+00 3.44 -1.970263823e+00 -1.970263823e+00 3.46 -1.893505572e+00 -1.893505572e+00 3.48 -1.819248082e+00 -1.819248082e+00 3.50 -1.747430054e+00 -1.747430054e+00 3.52 -1.677946133e+00 -1.677946133e+00 3.54 -1.610657978e+00 -1.610657978e+00 3.56 -1.545405735e+00 -1.545405735e+00 3.58 -1.482019163e+00 -1.482019163e+00 3.60 -1.420327951e+00 -1.420327951e+00 3.62 -1.360170950e+00 -1.360170950e+00 3.64 -1.301404212e+00 -1.301404212e+00 3.66 -1.243907740e+00 -1.243907740e+00 3.68 -1.187590874e+00 -1.187590874e+00 3.70 -1.132396189e+00 -1.132396189e+00 3.72 -1.078301711e+00 -1.078301711e+00 3.74 -1.025321273e+00 -1.025321273e+00 3.76 -9.735028419e-01 -9.735028419e-01 3.78 -9.229247733e-01 -9.229247733e-01 3.80 -8.736900877e-01 -8.736900877e-01 3.82 -8.259190872e-01 -8.259190872e-01 3.84 -7.797408082e-01 -7.797408082e-01 3.86 -7.352839729e-01 -7.352839729e-01 3.88 -6.926681758e-01 -6.926681758e-01 3.90 -6.519960257e-01 -6.519960257e-01 3.92 -6.133468467e-01 -6.133468467e-01 3.94 -5.767723478e-01 -5.767723478e-01 3.96 -5.422944366e-01 -5.422944366e-01 3.98 -5.099051196e-01 -5.099051196e-01 4.00 -4.795682351e-01 -4.795682351e-01 4.02 -4.512226276e-01 -4.512226276e-01 4.04 -4.247863149e-01 -4.247863149e-01 4.06 -4.001611967e-01 -4.001611967e-01 4.08 -3.772379097e-01 -3.772379097e-01 4.10 -3.559005147e-01 -3.559005147e-01 4.12 -3.360307910e-01 -3.360307910e-01 4.14 -3.175119922e-01 -3.175119922e-01 4.16 -3.002319885e-01 -3.002319885e-01 4.18 -2.840857507e-01 -2.840857507e-01 4.20 -2.689771585e-01 -2.689771585e-01 4.22 -2.548201219e-01 -2.548201219e-01 4.24 -2.415390098e-01 -2.415390098e-01 4.26 -2.290684035e-01 -2.290684035e-01 4.28 -2.173522227e-01 -2.173522227e-01 4.30 -2.063423324e-01 -2.063423324e-01 4.32 -1.959967978e-01 -1.959967978e-01 4.34 -1.862780017e-01 -1.862780017e-01 4.36 -1.771508603e-01 -1.771508603e-01 4.38 -1.685813387e-01 -1.685813387e-01 4.40 -1.605354085e-01 -1.605354085e-01 4.42 -1.529784934e-01 -1.529784934e-01 4.44 -1.458753228e-01 -1.458753228e-01 4.46 -1.391898853e-01 -1.391898853e-01 4.48 -1.328867623e-01 -1.328867623e-01 4.50 -1.269310677e-01 -1.269310677e-01 4.52 -1.212888116e-01 -1.212888116e-01 4.54 -1.159273632e-01 -1.159273632e-01 4.56 -1.108157722e-01 -1.108157722e-01 4.58 -1.059249578e-01 -1.059249578e-01 4.60 -1.012277909e-01 -1.012277909e-01 4.62 -9.669910246e-02 -9.669910246e-02 4.64 -9.231565485e-02 -9.231565485e-02 4.66 -8.805611009e-02 -8.805611009e-02 4.68 -8.390102261e-02 -8.390102261e-02 4.70 -7.983288025e-02 -7.983288025e-02 4.72 -7.583620934e-02 -7.583620934e-02 4.74 -7.189775197e-02 -7.189775197e-02 4.76 -6.800671486e-02 -6.800671486e-02 4.78 -6.415507818e-02 -6.415507818e-02 4.80 -6.033793988e-02 -6.033793988e-02 4.82 -5.655385865e-02 -5.655385865e-02 4.84 -5.280514202e-02 -5.280514202e-02 4.86 -4.909802159e-02 -4.909802159e-02 4.88 -4.544264605e-02 -4.544264605e-02 4.90 -4.185283510e-02 -4.185283510e-02 4.92 -3.834555720e-02 -3.834555720e-02 4.94 -3.494011953e-02 -3.494011953e-02 4.96 -3.165710549e-02 -3.165710549e-02 4.98 -2.851713979e-02 -2.851713979e-02 5.00 -2.553958909e-02 -2.553958909e-02 5.02 -2.274133670e-02 -2.274133670e-02 5.04 -2.013576232e-02 -2.013576232e-02 5.06 -1.773202752e-02 -1.773202752e-02 5.08 -1.553440271e-02 -1.553440271e-02 5.10 -1.354270896e-02 -1.354270896e-02 5.12 -1.175316144e-02 -1.175316144e-02 5.14 -1.015819364e-02 -1.015819364e-02 5.16 -8.747230996e-03 -8.747230996e-03 5.18 -7.507527831e-03 -7.507527831e-03 5.20 -6.424976268e-03 -6.424976268e-03 5.22 -5.484828606e-03 -5.484828606e-03 5.24 -4.672299107e-03 -4.672299107e-03 5.26 -3.973032316e-03 -3.973032316e-03 5.28 -3.373441112e-03 -3.373441112e-03 5.30 -2.860928188e-03 -2.860928188e-03 5.32 -2.424010020e-03 -2.424010020e-03 5.34 -2.052364092e-03 -2.052364092e-03 5.36 -1.736819114e-03 -1.736819114e-03 5.38 -1.469305594e-03 -1.469305594e-03 5.40 -1.242781025e-03 -1.242781025e-03 5.42 -1.051140863e-03 -1.051140863e-03 5.44 -8.891235712e-04 -8.891235712e-04 5.46 -7.522156041e-04 -7.522156041e-04 5.48 -6.365602379e-04 -6.365602379e-04 5.50 -5.388726489e-04 -5.388726489e-04 5.52 -4.563625321e-04 -4.563625321e-04 5.54 -3.866647684e-04 -3.866647684e-04 5.56 -3.277781114e-04 -3.277781114e-04 5.58 -2.780115301e-04 -2.780115301e-04 5.60 -2.359376407e-04 -2.359376407e-04 5.62 -2.003525647e-04 -2.003525647e-04 5.64 -1.702415121e-04 -1.702415121e-04 5.66 -1.447494068e-04 -1.447494068e-04 5.68 -1.231559035e-04 -1.231559035e-04 5.70 -1.048542026e-04 -1.048542026e-04 5.72 -8.933312740e-05 -8.933312740e-05 5.74 -7.616199028e-05 -7.616199028e-05 5.76 -6.497783187e-05 -6.497783187e-05 5.78 -5.547467420e-05 -5.547467420e-05 5.80 -4.739447766e-05 -4.739447766e-05 5.82 -4.051953632e-05 -4.051953632e-05 5.84 -3.466608575e-05 -3.466608575e-05 5.86 -2.967893125e-05 -2.967893125e-05 5.88 -2.542693424e-05 -2.542693424e-05 5.90 -2.179921962e-05 -2.179921962e-05 5.92 -1.870198859e-05 -1.870198859e-05 5.94 -1.605583971e-05 -1.605583971e-05 5.96 -1.379351650e-05 -1.379351650e-05 5.98 -1.185801313e-05 -1.185801313e-05 6.00 -1.020098045e-05 -1.020098045e-05