# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = Al2FeNi # 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 -3.809034481e+02 -3.809034481e+02 1.04 -3.599215010e+02 -3.599215010e+02 1.06 -3.406793289e+02 -3.406793289e+02 1.08 -3.227699011e+02 -3.227699011e+02 1.10 -3.058613274e+02 -3.058613274e+02 1.12 -2.897939484e+02 -2.897939484e+02 1.14 -2.745642673e+02 -2.745642673e+02 1.16 -2.601084911e+02 -2.601084911e+02 1.18 -2.463017358e+02 -2.463017358e+02 1.20 -2.331069661e+02 -2.331069661e+02 1.22 -2.205256582e+02 -2.205256582e+02 1.24 -2.085929589e+02 -2.085929589e+02 1.26 -1.975491755e+02 -1.975491755e+02 1.28 -1.875759507e+02 -1.875759507e+02 1.30 -1.785628965e+02 -1.785628965e+02 1.32 -1.702108452e+02 -1.702108452e+02 1.34 -1.622337162e+02 -1.622337162e+02 1.36 -1.544841967e+02 -1.544841967e+02 1.38 -1.468926433e+02 -1.468926433e+02 1.40 -1.394035412e+02 -1.394035412e+02 1.42 -1.319767306e+02 -1.319767306e+02 1.44 -1.245849282e+02 -1.245849282e+02 1.46 -1.171605656e+02 -1.171605656e+02 1.48 -1.096785157e+02 -1.096785157e+02 1.50 -1.022569823e+02 -1.022569823e+02 1.52 -9.503943243e+01 -9.503943243e+01 1.54 -8.812058347e+01 -8.812058347e+01 1.56 -8.156445412e+01 -8.156445412e+01 1.58 -7.543614514e+01 -7.543614514e+01 1.60 -6.976477413e+01 -6.976477413e+01 1.62 -6.450085554e+01 -6.450085554e+01 1.64 -5.961313563e+01 -5.961313563e+01 1.66 -5.510462844e+01 -5.510462844e+01 1.68 -5.097996849e+01 -5.097996849e+01 1.70 -4.723374594e+01 -4.723374594e+01 1.72 -4.382998964e+01 -4.382998964e+01 1.74 -4.070652017e+01 -4.070652017e+01 1.76 -3.780923166e+01 -3.780923166e+01 1.78 -3.508295578e+01 -3.508295578e+01 1.80 -3.246957814e+01 -3.246957814e+01 1.82 -2.991429108e+01 -2.991429108e+01 1.84 -2.737827381e+01 -2.737827381e+01 1.86 -2.486167889e+01 -2.486167889e+01 1.88 -2.239487695e+01 -2.239487695e+01 1.90 -2.001515648e+01 -2.001515648e+01 1.92 -1.775661315e+01 -1.775661315e+01 1.94 -1.563847234e+01 -1.563847234e+01 1.96 -1.365436489e+01 -1.365436489e+01 1.98 -1.177143067e+01 -1.177143067e+01 2.00 -9.950870764e+00 -9.950870764e+00 2.02 -8.177104813e+00 -8.177104813e+00 2.04 -6.662206900e+00 -6.662206900e+00 2.06 -5.515962306e+00 -5.515962306e+00 2.08 -4.687715275e+00 -4.687715275e+00 2.10 -4.116177960e+00 -4.116177960e+00 2.12 -3.740977867e+00 -3.740977867e+00 2.14 -3.510113487e+00 -3.510113487e+00 2.16 -3.383001811e+00 -3.383001811e+00 2.18 -3.329896438e+00 -3.329896438e+00 2.20 -3.328069638e+00 -3.328069638e+00 2.22 -3.359445137e+00 -3.359445137e+00 2.24 -3.410923877e+00 -3.410923877e+00 2.26 -3.471816687e+00 -3.471816687e+00 2.28 -3.534089618e+00 -3.534089618e+00 2.30 -3.592773745e+00 -3.592773745e+00 2.32 -3.647730092e+00 -3.647730092e+00 2.34 -3.699396401e+00 -3.699396401e+00 2.36 -3.747317410e+00 -3.747317410e+00 2.38 -3.790266062e+00 -3.790266062e+00 2.40 -3.827406724e+00 -3.827406724e+00 2.42 -3.858719735e+00 -3.858719735e+00 2.44 -3.884855977e+00 -3.884855977e+00 2.46 -3.906727884e+00 -3.906727884e+00 2.48 -3.925381118e+00 -3.925381118e+00 2.50 -3.941940216e+00 -3.941940216e+00 2.52 -3.956919151e+00 -3.956919151e+00 2.54 -3.969754924e+00 -3.969754924e+00 2.56 -3.979773277e+00 -3.979773277e+00 2.58 -3.986344149e+00 -3.986344149e+00 2.60 -3.988924841e+00 -3.988924841e+00 2.62 -3.987020338e+00 -3.987020338e+00 2.64 -3.980433013e+00 -3.980433013e+00 2.66 -3.969432660e+00 -3.969432660e+00 2.68 -3.954089950e+00 -3.954089950e+00 2.70 -3.934424183e+00 -3.934424183e+00 2.72 -3.910654542e+00 -3.910654542e+00 2.74 -3.882951793e+00 -3.882951793e+00 2.76 -3.851277423e+00 -3.851277423e+00 2.78 -3.815572888e+00 -3.815572888e+00 2.80 -3.775688075e+00 -3.775688075e+00 2.82 -3.731358671e+00 -3.731358671e+00 2.84 -3.682276564e+00 -3.682276564e+00 2.86 -3.628334069e+00 -3.628334069e+00 2.88 -3.569736221e+00 -3.569736221e+00 2.90 -3.507076706e+00 -3.507076706e+00 2.92 -3.441237397e+00 -3.441237397e+00 2.94 -3.373229064e+00 -3.373229064e+00 2.96 -3.304044154e+00 -3.304044154e+00 2.98 -3.234560090e+00 -3.234560090e+00 3.00 -3.165517681e+00 -3.165517681e+00 3.02 -3.097532293e+00 -3.097532293e+00 3.04 -3.031108241e+00 -3.031108241e+00 3.06 -2.966665370e+00 -2.966665370e+00 3.08 -2.904532674e+00 -2.904532674e+00 3.10 -2.844896729e+00 -2.844896729e+00 3.12 -2.787937592e+00 -2.787937592e+00 3.14 -2.733847543e+00 -2.733847543e+00 3.16 -2.682828037e+00 -2.682828037e+00 3.18 -2.635075824e+00 -2.635075824e+00 3.20 -2.590731196e+00 -2.590731196e+00 3.22 -2.549770612e+00 -2.549770612e+00 3.24 -2.511895980e+00 -2.511895980e+00 3.26 -2.475380591e+00 -2.475380591e+00 3.28 -2.437717919e+00 -2.437717919e+00 3.30 -2.396691046e+00 -2.396691046e+00 3.32 -2.350707363e+00 -2.350707363e+00 3.34 -2.298910053e+00 -2.298910053e+00 3.36 -2.241065370e+00 -2.241065370e+00 3.38 -2.177326209e+00 -2.177326209e+00 3.40 -2.107948483e+00 -2.107948483e+00 3.42 -2.033062414e+00 -2.033062414e+00 3.44 -1.952549269e+00 -1.952549269e+00 3.46 -1.866022762e+00 -1.866022762e+00 3.48 -1.772873327e+00 -1.772873327e+00 3.50 -1.672334022e+00 -1.672334022e+00 3.52 -1.563592419e+00 -1.563592419e+00 3.54 -1.446052846e+00 -1.446052846e+00 3.56 -1.319297363e+00 -1.319297363e+00 3.58 -1.183270626e+00 -1.183270626e+00 3.60 -1.039111702e+00 -1.039111702e+00 3.62 -8.884068333e-01 -8.884068333e-01 3.64 -7.328321751e-01 -7.328321751e-01 3.66 -5.741367044e-01 -5.741367044e-01 3.68 -4.141192627e-01 -4.141192627e-01 3.70 -2.546030191e-01 -2.546030191e-01 3.72 -9.735597749e-02 -9.735597749e-02 3.74 5.593919418e-02 5.593919418e-02 3.76 2.036543635e-01 2.036543635e-01 3.78 3.442301452e-01 3.442301452e-01 3.80 4.761924161e-01 4.761924161e-01 3.82 5.981683294e-01 5.981683294e-01 3.84 7.089008061e-01 7.089008061e-01 3.86 8.072343136e-01 8.072343136e-01 3.88 8.910950925e-01 8.910950925e-01 3.90 9.581597912e-01 9.581597912e-01 3.92 1.007467179e+00 1.007467179e+00 3.94 1.039028440e+00 1.039028440e+00 3.96 1.053446489e+00 1.053446489e+00 3.98 1.051644933e+00 1.051644933e+00 4.00 1.034679914e+00 1.034679914e+00 4.02 1.003619902e+00 1.003619902e+00 4.04 9.594792054e-01 9.594792054e-01 4.06 9.031939100e-01 9.031939100e-01 4.08 8.356175562e-01 8.356175562e-01 4.10 7.575386748e-01 7.575386748e-01 4.12 6.697350063e-01 6.697350063e-01 4.14 5.730136581e-01 5.730136581e-01 4.16 4.682529282e-01 4.682529282e-01 4.18 3.564449901e-01 3.564449901e-01 4.20 2.387256408e-01 2.387256408e-01 4.22 1.163903700e-01 1.163903700e-01 4.24 -9.110712910e-03 -9.110712910e-03 4.26 -1.144422571e-01 -1.144422571e-01 4.28 -1.117703078e-01 -1.117703078e-01 4.30 6.350839570e-02 6.350839570e-02 4.32 4.402891631e-01 4.402891631e-01 4.34 1.020731296e+00 1.020731296e+00 4.36 1.787687471e+00 1.787687471e+00 4.38 2.710880948e+00 2.710880948e+00 4.40 3.752032104e+00 3.752032104e+00 4.42 4.869571894e+00 4.869571894e+00 4.44 6.021510636e+00 6.021510636e+00 4.46 7.167357505e+00 7.167357505e+00 4.48 8.269989692e+00 8.269989692e+00 4.50 9.296934617e+00 9.296934617e+00 4.52 1.022116768e+01 1.022116768e+01 4.54 1.102122771e+01 1.102122771e+01 4.56 1.168127842e+01 1.168127842e+01 4.58 1.219108345e+01 1.219108345e+01 4.60 1.254557943e+01 1.254557943e+01 4.62 1.274438084e+01 1.274438084e+01 4.64 1.279114881e+01 1.279114881e+01 4.66 1.269304261e+01 1.269304261e+01 4.68 1.246012765e+01 1.246012765e+01 4.70 1.210491310e+01 1.210491310e+01 4.72 1.164183927e+01 1.164183927e+01 4.74 1.108688578e+01 1.108688578e+01 4.76 1.045706414e+01 1.045706414e+01 4.78 9.769879552e+00 9.769879552e+00 4.80 9.042790231e+00 9.042790231e+00 4.82 8.292620517e+00 8.292620517e+00 4.84 7.535084021e+00 7.535084021e+00 4.86 6.784361852e+00 6.784361852e+00 4.88 6.052803805e+00 6.052803805e+00 4.90 5.350780919e+00 5.350780919e+00 4.92 4.686625350e+00 4.686625350e+00 4.94 4.066671748e+00 4.066671748e+00 4.96 3.495352252e+00 3.495352252e+00 4.98 2.975356880e+00 2.975356880e+00 5.00 2.507815951e+00 2.507815951e+00 5.02 2.091946837e+00 2.091946837e+00 5.04 1.724068724e+00 1.724068724e+00 5.06 1.400192061e+00 1.400192061e+00 5.08 1.116675247e+00 1.116675247e+00 5.10 8.701865051e-01 8.701865051e-01 5.12 6.576724016e-01 6.576724016e-01 5.14 4.763175259e-01 4.763175259e-01 5.16 3.235064017e-01 3.235064017e-01 5.18 1.967867612e-01 1.967867612e-01 5.20 9.382589852e-02 9.382589852e-02 5.22 1.237313826e-02 1.237313826e-02 5.24 -4.977665688e-02 -4.977665688e-02 5.26 -9.481283122e-02 -9.481283122e-02 5.28 -1.249284566e-01 -1.249284566e-01 5.30 -1.423234101e-01 -1.423234101e-01 5.32 -1.491926722e-01 -1.491926722e-01 5.34 -1.476939424e-01 -1.476939424e-01 5.36 -1.398999974e-01 -1.398999974e-01 5.38 -1.277397004e-01 -1.277397004e-01 5.40 -1.129372210e-01 -1.129372210e-01 5.42 -9.695973354e-02 -9.695973354e-02 5.44 -8.098213411e-02 -8.098213411e-02 5.46 -6.587681960e-02 -6.587681960e-02 5.48 -5.222580450e-02 -5.222580450e-02 5.50 -4.035529605e-02 -4.035529605e-02 5.52 -3.038173735e-02 -3.038173735e-02 5.54 -2.226505908e-02 -2.226505908e-02 5.56 -1.586154569e-02 -1.586154569e-02 5.58 -1.096164720e-02 -1.096164720e-02 5.60 -7.327485490e-03 -7.327485490e-03 5.62 -4.719403722e-03 -4.719403722e-03 5.64 -2.912856445e-03 -2.912856445e-03 5.66 -1.709988966e-03 -1.709988966e-03 5.68 -9.444923718e-04 -9.444923718e-04 5.70 -4.826044240e-04 -4.826044240e-04 5.72 -2.215662240e-04 -2.215662240e-04 5.74 -8.657938381e-05 -8.657938381e-05 5.76 -2.534168731e-05 -2.534168731e-05 5.78 -3.823585575e-06 -3.823585575e-06 5.80 -6.978568846e-09 -6.978568846e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00