# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = CoCuNi2 # 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 -3.883854024e+02 -3.883854024e+02 1.04 -3.666936529e+02 -3.666936529e+02 1.06 -3.461280715e+02 -3.461280715e+02 1.08 -3.269811914e+02 -3.269811914e+02 1.10 -3.089250840e+02 -3.089250840e+02 1.12 -2.913463553e+02 -2.913463553e+02 1.14 -2.741202864e+02 -2.741202864e+02 1.16 -2.573781635e+02 -2.573781635e+02 1.18 -2.416144335e+02 -2.416144335e+02 1.20 -2.274944897e+02 -2.274944897e+02 1.22 -2.150805507e+02 -2.150805507e+02 1.24 -2.038433790e+02 -2.038433790e+02 1.26 -1.933697356e+02 -1.933697356e+02 1.28 -1.836031928e+02 -1.836031928e+02 1.30 -1.744247645e+02 -1.744247645e+02 1.32 -1.655644281e+02 -1.655644281e+02 1.34 -1.568154854e+02 -1.568154854e+02 1.36 -1.482847393e+02 -1.482847393e+02 1.38 -1.402239716e+02 -1.402239716e+02 1.40 -1.326800677e+02 -1.326800677e+02 1.42 -1.254069758e+02 -1.254069758e+02 1.44 -1.181413490e+02 -1.181413490e+02 1.46 -1.107631082e+02 -1.107631082e+02 1.48 -1.033073870e+02 -1.033073870e+02 1.50 -9.588287703e+01 -9.588287703e+01 1.52 -8.859727234e+01 -8.859727234e+01 1.54 -8.149072105e+01 -8.149072105e+01 1.56 -7.447747813e+01 -7.447747813e+01 1.58 -6.737803649e+01 -6.737803649e+01 1.60 -6.005793905e+01 -6.005793905e+01 1.62 -5.257470948e+01 -5.257470948e+01 1.64 -4.516288183e+01 -4.516288183e+01 1.66 -3.807777851e+01 -3.807777851e+01 1.68 -3.145683381e+01 -3.145683381e+01 1.70 -2.532883818e+01 -2.532883818e+01 1.72 -1.971874315e+01 -1.971874315e+01 1.74 -1.466521316e+01 -1.466521316e+01 1.76 -1.018096331e+01 -1.018096331e+01 1.78 -6.562266363e+00 -6.562266363e+00 1.80 -4.097391333e+00 -4.097391333e+00 1.82 -2.434734652e+00 -2.434734652e+00 1.84 -1.339657327e+00 -1.339657327e+00 1.86 -6.689857972e-01 -6.689857972e-01 1.88 -3.186755074e-01 -3.186755074e-01 1.90 -1.993095839e-01 -1.993095839e-01 1.92 -2.357856110e-01 -2.357856110e-01 1.94 -3.754956873e-01 -3.754956873e-01 1.96 -5.849786905e-01 -5.849786905e-01 1.98 -8.406885817e-01 -8.406885817e-01 2.00 -1.125031559e+00 -1.125031559e+00 2.02 -1.424827045e+00 -1.424827045e+00 2.04 -1.730993125e+00 -1.730993125e+00 2.06 -2.036897699e+00 -2.036897699e+00 2.08 -2.335872474e+00 -2.335872474e+00 2.10 -2.620401443e+00 -2.620401443e+00 2.12 -2.883290675e+00 -2.883290675e+00 2.14 -3.118692840e+00 -3.118692840e+00 2.16 -3.322460547e+00 -3.322460547e+00 2.18 -3.492232504e+00 -3.492232504e+00 2.20 -3.626409842e+00 -3.626409842e+00 2.22 -3.725435871e+00 -3.725435871e+00 2.24 -3.795845150e+00 -3.795845150e+00 2.26 -3.846457907e+00 -3.846457907e+00 2.28 -3.885702402e+00 -3.885702402e+00 2.30 -3.919903936e+00 -3.919903936e+00 2.32 -3.950765205e+00 -3.950765205e+00 2.34 -3.978861969e+00 -3.978861969e+00 2.36 -4.004581549e+00 -4.004581549e+00 2.38 -4.027919750e+00 -4.027919750e+00 2.40 -4.048098314e+00 -4.048098314e+00 2.42 -4.063723407e+00 -4.063723407e+00 2.44 -4.073439845e+00 -4.073439845e+00 2.46 -4.077396353e+00 -4.077396353e+00 2.48 -4.076093370e+00 -4.076093370e+00 2.50 -4.070115726e+00 -4.070115726e+00 2.52 -4.059519497e+00 -4.059519497e+00 2.54 -4.043865370e+00 -4.043865370e+00 2.56 -4.022943959e+00 -4.022943959e+00 2.58 -3.996711295e+00 -3.996711295e+00 2.60 -3.965439794e+00 -3.965439794e+00 2.62 -3.929551911e+00 -3.929551911e+00 2.64 -3.889570893e+00 -3.889570893e+00 2.66 -3.846036593e+00 -3.846036593e+00 2.68 -3.799279929e+00 -3.799279929e+00 2.70 -3.749505021e+00 -3.749505021e+00 2.72 -3.696879031e+00 -3.696879031e+00 2.74 -3.641566279e+00 -3.641566279e+00 2.76 -3.583808894e+00 -3.583808894e+00 2.78 -3.523990752e+00 -3.523990752e+00 2.80 -3.462633099e+00 -3.462633099e+00 2.82 -3.400242143e+00 -3.400242143e+00 2.84 -3.337184241e+00 -3.337184241e+00 2.86 -3.273439815e+00 -3.273439815e+00 2.88 -3.208508190e+00 -3.208508190e+00 2.90 -3.141945527e+00 -3.141945527e+00 2.92 -3.073663180e+00 -3.073663180e+00 2.94 -3.003476538e+00 -3.003476538e+00 2.96 -2.930760298e+00 -2.930760298e+00 2.98 -2.855053297e+00 -2.855053297e+00 3.00 -2.776197584e+00 -2.776197584e+00 3.02 -2.694396547e+00 -2.694396547e+00 3.04 -2.610107876e+00 -2.610107876e+00 3.06 -2.523836170e+00 -2.523836170e+00 3.08 -2.436060886e+00 -2.436060886e+00 3.10 -2.347227431e+00 -2.347227431e+00 3.12 -2.257923725e+00 -2.257923725e+00 3.14 -2.169298132e+00 -2.169298132e+00 3.16 -2.082768056e+00 -2.082768056e+00 3.18 -1.999517336e+00 -1.999517336e+00 3.20 -1.920314023e+00 -1.920314023e+00 3.22 -1.845478734e+00 -1.845478734e+00 3.24 -1.775012520e+00 -1.775012520e+00 3.26 -1.708657241e+00 -1.708657241e+00 3.28 -1.645953477e+00 -1.645953477e+00 3.30 -1.586315572e+00 -1.586315572e+00 3.32 -1.529117006e+00 -1.529117006e+00 3.34 -1.473775328e+00 -1.473775328e+00 3.36 -1.419856910e+00 -1.419856910e+00 3.38 -1.367116497e+00 -1.367116497e+00 3.40 -1.315486429e+00 -1.315486429e+00 3.42 -1.265090530e+00 -1.265090530e+00 3.44 -1.216127821e+00 -1.216127821e+00 3.46 -1.168799541e+00 -1.168799541e+00 3.48 -1.123260895e+00 -1.123260895e+00 3.50 -1.079591190e+00 -1.079591190e+00 3.52 -1.037784927e+00 -1.037784927e+00 3.54 -9.977596796e-01 -9.977596796e-01 3.56 -9.593754512e-01 -9.593754512e-01 3.58 -9.224733168e-01 -9.224733168e-01 3.60 -8.869081556e-01 -8.869081556e-01 3.62 -8.525380007e-01 -8.525380007e-01 3.64 -8.192287415e-01 -8.192287415e-01 3.66 -7.868845401e-01 -7.868845401e-01 3.68 -7.554225948e-01 -7.554225948e-01 3.70 -7.247605300e-01 -7.247605300e-01 3.72 -6.948159586e-01 -6.948159586e-01 3.74 -6.655064496e-01 -6.655064496e-01 3.76 -6.367493768e-01 -6.367493768e-01 3.78 -6.084616776e-01 -6.084616776e-01 3.80 -5.805600761e-01 -5.805600761e-01 3.82 -5.529609562e-01 -5.529609562e-01 3.84 -5.255807277e-01 -5.255807277e-01 3.86 -4.983437266e-01 -4.983437266e-01 3.88 -4.712427727e-01 -4.712427727e-01 3.90 -4.443086393e-01 -4.443086393e-01 3.92 -4.175763186e-01 -4.175763186e-01 3.94 -3.910816231e-01 -3.910816231e-01 3.96 -3.648583895e-01 -3.648583895e-01 3.98 -3.389422338e-01 -3.389422338e-01 4.00 -3.133709300e-01 -3.133709300e-01 4.02 -2.881844679e-01 -2.881844679e-01 4.04 -2.634735961e-01 -2.634735961e-01 4.06 -2.403861138e-01 -2.403861138e-01 4.08 -2.207226748e-01 -2.207226748e-01 4.10 -2.057778878e-01 -2.057778878e-01 4.12 -1.963317168e-01 -1.963317168e-01 4.14 -1.926759144e-01 -1.926759144e-01 4.16 -1.946506519e-01 -1.946506519e-01 4.18 -2.017094290e-01 -2.017094290e-01 4.20 -2.129810540e-01 -2.129810540e-01 4.22 -2.273587415e-01 -2.273587415e-01 4.24 -2.435406153e-01 -2.435406153e-01 4.26 -2.600885356e-01 -2.600885356e-01 4.28 -2.755030290e-01 -2.755030290e-01 4.30 -2.883011535e-01 -2.883011535e-01 4.32 -2.970996686e-01 -2.970996686e-01 4.34 -3.006972214e-01 -3.006972214e-01 4.36 -2.981563129e-01 -2.981563129e-01 4.38 -2.888789837e-01 -2.888789837e-01 4.40 -2.726722673e-01 -2.726722673e-01 4.42 -2.497975208e-01 -2.497975208e-01 4.44 -2.209924984e-01 -2.209924984e-01 4.46 -1.874595850e-01 -1.874595850e-01 4.48 -1.508114209e-01 -1.508114209e-01 4.50 -1.129646705e-01 -1.129646705e-01 4.52 -7.599495548e-02 -7.599495548e-02 4.54 -4.199108599e-02 -4.199108599e-02 4.56 -1.270901735e-02 -1.270901735e-02 4.58 1.069363693e-02 1.069363693e-02 4.60 2.777672537e-02 2.777672537e-02 4.62 3.888978449e-02 3.888978449e-02 4.64 4.559042904e-02 4.559042904e-02 4.66 5.001418026e-02 5.001418026e-02 4.68 5.427484789e-02 5.427484789e-02 4.70 6.020521331e-02 6.020521331e-02 4.72 6.918306484e-02 6.918306484e-02 4.74 8.206967819e-02 8.206967819e-02 4.76 9.924346112e-02 9.924346112e-02 4.78 1.206996734e-01 1.206996734e-01 4.80 1.461391190e-01 1.461391190e-01 4.82 1.750291183e-01 1.750291183e-01 4.84 2.066702713e-01 2.066702713e-01 4.86 2.402265504e-01 2.402265504e-01 4.88 2.747557272e-01 2.747557272e-01 4.90 3.092401896e-01 3.092401896e-01 4.92 3.426177143e-01 3.426177143e-01 4.94 3.738129523e-01 3.738129523e-01 4.96 4.017698660e-01 4.017698660e-01 4.98 4.254861313e-01 4.254861313e-01 5.00 4.440487463e-01 4.440487463e-01 5.02 4.566707310e-01 4.566707310e-01 5.04 4.627291521e-01 4.627291521e-01 5.06 4.617880751e-01 4.617880751e-01 5.08 4.536419651e-01 4.536419651e-01 5.10 4.383574434e-01 4.383574434e-01 5.12 4.162972732e-01 4.162972732e-01 5.14 3.881297335e-01 3.881297335e-01 5.16 3.548201273e-01 3.548201273e-01 5.18 3.176006130e-01 3.176006130e-01 5.20 2.779133584e-01 2.779133584e-01 5.22 2.373556279e-01 2.373556279e-01 5.24 1.976594015e-01 1.976594015e-01 5.26 1.604086380e-01 1.604086380e-01 5.28 1.268630149e-01 1.268630149e-01 5.30 9.787201470e-02 9.787201470e-02 5.32 7.383376461e-02 7.383376461e-02 5.34 5.470920800e-02 5.470920800e-02 5.36 4.009055569e-02 4.009055569e-02 5.38 2.931345439e-02 2.931345439e-02 5.40 2.158996798e-02 2.158996798e-02 5.42 1.613586192e-02 1.613586192e-02 5.44 1.226752435e-02 1.226752435e-02 5.46 9.454938852e-03 9.454938852e-03 5.48 7.330860862e-03 7.330860862e-03 5.50 5.667477291e-03 5.667477291e-03 5.52 4.337768839e-03 4.337768839e-03 5.54 3.272234661e-03 3.272234661e-03 5.56 2.422903844e-03 2.422903844e-03 5.58 1.755049660e-03 1.755049660e-03 5.60 1.239654138e-03 1.239654138e-03 5.62 8.504690121e-04 8.504690121e-04 5.64 5.636294182e-04 5.636294182e-04 5.66 3.579611631e-04 3.579611631e-04 5.68 2.152542467e-04 2.152542467e-04 5.70 1.201803467e-04 1.201803467e-04 5.72 6.032333684e-05 6.032333684e-05 5.74 2.560384111e-05 2.560384111e-05 5.76 8.017397317e-06 8.017397317e-06 5.78 1.253879122e-06 1.253879122e-06 5.80 3.146858514e-09 3.146858514e-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