# 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 = CoFe2Ta # 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 2.157579743e+02 2.157579743e+02 1.30 1.974542108e+02 1.974542108e+02 1.32 1.806424454e+02 1.806424454e+02 1.34 1.651895174e+02 1.651895174e+02 1.36 1.509793972e+02 1.509793972e+02 1.38 1.379107527e+02 1.379107527e+02 1.40 1.258940063e+02 1.258940063e+02 1.42 1.148486142e+02 1.148486142e+02 1.44 1.047006921e+02 1.047006921e+02 1.46 9.538113673e+01 9.538113673e+01 1.48 8.682451748e+01 8.682451748e+01 1.50 7.896875489e+01 7.896875489e+01 1.52 7.175527694e+01 7.175527694e+01 1.54 6.512939481e+01 6.512939481e+01 1.56 5.904076031e+01 5.904076031e+01 1.58 5.344367213e+01 5.344367213e+01 1.60 4.829700046e+01 4.829700046e+01 1.62 4.356373598e+01 4.356373598e+01 1.64 3.921038352e+01 3.921038352e+01 1.66 3.520644409e+01 3.520644409e+01 1.68 3.152409653e+01 3.152409653e+01 1.70 2.813887663e+01 2.813887663e+01 1.72 2.503316226e+01 2.503316226e+01 1.74 2.218620105e+01 2.218620105e+01 1.76 1.957825250e+01 1.957825250e+01 1.78 1.719132591e+01 1.719132591e+01 1.80 1.500849094e+01 1.500849094e+01 1.82 1.301431132e+01 1.301431132e+01 1.84 1.119468284e+01 1.119468284e+01 1.86 9.536592534e+00 9.536592534e+00 1.88 8.027856267e+00 8.027856267e+00 1.90 6.656882874e+00 6.656882874e+00 1.92 5.412496203e+00 5.412496203e+00 1.94 4.283836144e+00 4.283836144e+00 1.96 3.260352416e+00 3.260352416e+00 1.98 2.331894824e+00 2.331894824e+00 2.00 1.488886339e+00 1.488886339e+00 2.02 7.225393118e-01 7.225393118e-01 2.04 2.505195742e-02 2.505195742e-02 2.06 -6.102773943e-01 -6.102773943e-01 2.08 -1.189051993e+00 -1.189051993e+00 2.10 -1.715888166e+00 -1.715888166e+00 2.12 -2.194599300e+00 -2.194599300e+00 2.14 -2.628402650e+00 -2.628402650e+00 2.16 -3.020106447e+00 -3.020106447e+00 2.18 -3.372254230e+00 -3.372254230e+00 2.20 -3.687224108e+00 -3.687224108e+00 2.22 -3.967293690e+00 -3.967293690e+00 2.24 -4.214684035e+00 -4.214684035e+00 2.26 -4.431591654e+00 -4.431591654e+00 2.28 -4.620211600e+00 -4.620211600e+00 2.30 -4.782701681e+00 -4.782701681e+00 2.32 -4.921158304e+00 -4.921158304e+00 2.34 -5.038054250e+00 -5.038054250e+00 2.36 -5.135813343e+00 -5.135813343e+00 2.38 -5.216704017e+00 -5.216704017e+00 2.40 -5.282781930e+00 -5.282781930e+00 2.42 -5.335557898e+00 -5.335557898e+00 2.44 -5.375892731e+00 -5.375892731e+00 2.46 -5.404647080e+00 -5.404647080e+00 2.48 -5.422707976e+00 -5.422707976e+00 2.50 -5.430953893e+00 -5.430953893e+00 2.52 -5.430234112e+00 -5.430234112e+00 2.54 -5.421361818e+00 -5.421361818e+00 2.56 -5.405151243e+00 -5.405151243e+00 2.58 -5.382296369e+00 -5.382296369e+00 2.60 -5.353425633e+00 -5.353425633e+00 2.62 -5.319126659e+00 -5.319126659e+00 2.64 -5.279934991e+00 -5.279934991e+00 2.66 -5.236325439e+00 -5.236325439e+00 2.68 -5.188709360e+00 -5.188709360e+00 2.70 -5.137432234e+00 -5.137432234e+00 2.72 -5.082729084e+00 -5.082729084e+00 2.74 -5.024778977e+00 -5.024778977e+00 2.76 -4.963741429e+00 -4.963741429e+00 2.78 -4.899759702e+00 -4.899759702e+00 2.80 -4.832976568e+00 -4.832976568e+00 2.82 -4.763535666e+00 -4.763535666e+00 2.84 -4.691581696e+00 -4.691581696e+00 2.86 -4.617259593e+00 -4.617259593e+00 2.88 -4.540712298e+00 -4.540712298e+00 2.90 -4.461969301e+00 -4.461969301e+00 2.92 -4.380872287e+00 -4.380872287e+00 2.94 -4.297313997e+00 -4.297313997e+00 2.96 -4.211256271e+00 -4.211256271e+00 2.98 -4.122716151e+00 -4.122716151e+00 3.00 -4.031752802e+00 -4.031752802e+00 3.02 -3.938455659e+00 -3.938455659e+00 3.04 -3.842934149e+00 -3.842934149e+00 3.06 -3.745309431e+00 -3.745309431e+00 3.08 -3.645708997e+00 -3.645708997e+00 3.10 -3.544265223e+00 -3.544265223e+00 3.12 -3.441118716e+00 -3.441118716e+00 3.14 -3.336426524e+00 -3.336426524e+00 3.16 -3.230374133e+00 -3.230374133e+00 3.18 -3.123189186e+00 -3.123189186e+00 3.20 -3.015154255e+00 -3.015154255e+00 3.22 -2.906615914e+00 -2.906615914e+00 3.24 -2.797987726e+00 -2.797987726e+00 3.26 -2.689745469e+00 -2.689745469e+00 3.28 -2.582413963e+00 -2.582413963e+00 3.30 -2.476546066e+00 -2.476546066e+00 3.32 -2.372695723e+00 -2.372695723e+00 3.34 -2.271387985e+00 -2.271387985e+00 3.36 -2.173089552e+00 -2.173089552e+00 3.38 -2.078183372e+00 -2.078183372e+00 3.40 -1.986950150e+00 -1.986950150e+00 3.42 -1.899558488e+00 -1.899558488e+00 3.44 -1.816064025e+00 -1.816064025e+00 3.46 -1.736416691e+00 -1.736416691e+00 3.48 -1.660474315e+00 -1.660474315e+00 3.50 -1.588020380e+00 -1.588020380e+00 3.52 -1.518783725e+00 -1.518783725e+00 3.54 -1.452458343e+00 -1.452458343e+00 3.56 -1.388721920e+00 -1.388721920e+00 3.58 -1.327252287e+00 -1.327252287e+00 3.60 -1.267741436e+00 -1.267741436e+00 3.62 -1.209907066e+00 -1.209907066e+00 3.64 -1.153501812e+00 -1.153501812e+00 3.66 -1.098320361e+00 -1.098320361e+00 3.68 -1.044204627e+00 -1.044204627e+00 3.70 -9.910470497e-01 -9.910470497e-01 3.72 -9.387919969e-01 -9.387919969e-01 3.74 -8.874351447e-01 -8.874351447e-01 3.76 -8.370207075e-01 -8.370207075e-01 3.78 -7.876364304e-01 -7.876364304e-01 3.80 -7.394063927e-01 -7.394063927e-01 3.82 -6.924818632e-01 -6.924818632e-01 3.84 -6.470306813e-01 -6.470306813e-01 3.86 -6.032257824e-01 -6.032257824e-01 3.88 -5.612337554e-01 -5.612337554e-01 3.90 -5.212047866e-01 -5.212047866e-01 3.92 -4.832634366e-01 -4.832634366e-01 3.94 -4.475021223e-01 -4.475021223e-01 3.96 -4.139772457e-01 -4.139772457e-01 3.98 -3.827079676e-01 -3.827079676e-01 4.00 -3.536774061e-01 -3.536774061e-01 4.02 -3.268358358e-01 -3.268358358e-01 4.04 -3.021053436e-01 -3.021053436e-01 4.06 -2.793853640e-01 -2.793853640e-01 4.08 -2.585585624e-01 -2.585585624e-01 4.10 -2.394966222e-01 -2.394966222e-01 4.12 -2.220656080e-01 -2.220656080e-01 4.14 -2.061306847e-01 -2.061306847e-01 4.16 -1.915600730e-01 -1.915600730e-01 4.18 -1.782281898e-01 -1.782281898e-01 4.20 -1.660179718e-01 -1.660179718e-01 4.22 -1.548224006e-01 -1.548224006e-01 4.24 -1.445452716e-01 -1.445452716e-01 4.26 -1.351012654e-01 -1.351012654e-01 4.28 -1.264154001e-01 -1.264154001e-01 4.30 -1.184219824e-01 -1.184219824e-01 4.32 -1.110632181e-01 -1.110632181e-01 4.34 -1.042876670e-01 -1.042876670e-01 4.36 -9.804863046e-02 -9.804863046e-02 4.38 -9.230290182e-02 -9.230290182e-02 4.40 -8.701009862e-02 -8.701009862e-02 4.42 -8.213166400e-02 -8.213166400e-02 4.44 -7.763055090e-02 -7.763055090e-02 4.46 -7.347118281e-02 -7.347118281e-02 4.48 -6.961957930e-02 -6.961957930e-02 4.50 -6.604355234e-02 -6.604355234e-02 4.52 -6.271289931e-02 -6.271289931e-02 4.54 -5.959954521e-02 -5.959954521e-02 4.56 -5.667761309e-02 -5.667761309e-02 4.58 -5.392342177e-02 -5.392342177e-02 4.60 -5.131542345e-02 -5.131542345e-02 4.62 -4.883410056e-02 -4.883410056e-02 4.64 -4.646184297e-02 -4.646184297e-02 4.66 -4.418282549e-02 -4.418282549e-02 4.68 -4.198290271e-02 -4.198290271e-02 4.70 -3.984953418e-02 -3.984953418e-02 4.72 -3.777174912e-02 -3.777174912e-02 4.74 -3.574015503e-02 -3.574015503e-02 4.76 -3.374698992e-02 -3.374698992e-02 4.78 -3.178621234e-02 -3.178621234e-02 4.80 -2.985361504e-02 -2.985361504e-02 4.82 -2.794694541e-02 -2.794694541e-02 4.84 -2.606600565e-02 -2.606600565e-02 4.86 -2.421270267e-02 -2.421270267e-02 4.88 -2.239101434e-02 -2.239101434e-02 4.90 -2.060684352e-02 -2.060684352e-02 4.92 -1.886774004e-02 -1.886774004e-02 4.94 -1.718248674e-02 -1.718248674e-02 4.96 -1.556034805e-02 -1.556034805e-02 4.98 -1.401062196e-02 -1.401062196e-02 5.00 -1.254254690e-02 -1.254254690e-02 5.02 -1.116416208e-02 -1.116416208e-02 5.04 -9.881790698e-03 -9.881790698e-03 5.06 -8.699690031e-03 -8.699690031e-03 5.08 -7.619883047e-03 -7.619883047e-03 5.10 -6.642172147e-03 -6.642172147e-03 5.12 -5.764312083e-03 -5.764312083e-03 5.14 -4.982302544e-03 -4.982302544e-03 5.16 -4.290753424e-03 -4.290753424e-03 5.18 -3.683276803e-03 -3.683276803e-03 5.20 -3.152867023e-03 -3.152867023e-03 5.22 -2.692240951e-03 -2.692240951e-03 5.24 -2.294121926e-03 -2.294121926e-03 5.26 -1.951460895e-03 -1.951460895e-03 5.28 -1.657595956e-03 -1.657595956e-03 5.30 -1.406356576e-03 -1.406356576e-03 5.32 -1.192121410e-03 -1.192121410e-03 5.34 -1.009839516e-03 -1.009839516e-03 5.36 -8.550243783e-04 -8.550243783e-04 5.38 -7.237289727e-04 -7.237289727e-04 5.40 -6.125087454e-04 -6.125087454e-04 5.42 -5.183778272e-04 -5.183778272e-04 5.44 -4.387624778e-04 -4.387624778e-04 5.46 -3.714545755e-04 -3.714545755e-04 5.48 -3.145670314e-04 -3.145670314e-04 5.50 -2.664922824e-04 -2.664922824e-04 5.52 -2.258644825e-04 -2.258644825e-04 5.54 -1.915256331e-04 -1.915256331e-04 5.56 -1.624956328e-04 -1.624956328e-04 5.58 -1.379460680e-04 -1.379460680e-04 5.60 -1.171774656e-04 -1.171774656e-04 5.62 -9.959968267e-05 -9.959968267e-05 5.64 -8.471509234e-05 -8.471509234e-05 5.66 -7.210423007e-05 -7.210423007e-05 5.68 -6.141358473e-05 -6.141358473e-05 5.70 -5.234524370e-05 -5.234524370e-05 5.72 -4.464813098e-05 -4.464813098e-05 5.74 -3.811060694e-05 -3.811060694e-05 5.76 -3.255422737e-05 -3.255422737e-05 5.78 -2.782848609e-05 -2.782848609e-05 5.80 -2.380638991e-05 -2.380638991e-05 5.82 -2.038073651e-05 -2.038073651e-05 5.84 -1.746098478e-05 -1.746098478e-05 5.86 -1.497062406e-05 -1.497062406e-05 5.88 -1.284496284e-05 -1.284496284e-05 5.90 -1.102927010e-05 -1.102927010e-05 5.92 -9.477212859e-06 -9.477212859e-06 5.94 -8.149542264e-06 -8.149542264e-06 5.96 -7.012988593e-06 -7.012988593e-06 5.98 -6.039331442e-06 -6.039331442e-06 6.00 -5.204617068e-06 -5.204617068e-06