# 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 = Co2FeNi # 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 1.359474503e+02 1.359474503e+02 1.30 1.240476959e+02 1.240476959e+02 1.32 1.131417472e+02 1.131417472e+02 1.34 1.031393644e+02 1.031393644e+02 1.36 9.396090953e+01 9.396090953e+01 1.38 8.553677125e+01 8.553677125e+01 1.40 7.780542812e+01 7.780542812e+01 1.42 7.071140346e+01 7.071140346e+01 1.44 6.420360798e+01 6.420360798e+01 1.46 5.823440664e+01 5.823440664e+01 1.48 5.275958593e+01 5.275958593e+01 1.50 4.773868466e+01 4.773868466e+01 1.52 4.313494978e+01 4.313494978e+01 1.54 3.891485846e+01 3.891485846e+01 1.56 3.504758277e+01 3.504758277e+01 1.58 3.150458196e+01 3.150458196e+01 1.60 2.825932701e+01 2.825932701e+01 1.62 2.528740586e+01 2.528740586e+01 1.64 2.256767646e+01 2.256767646e+01 1.66 2.007917826e+01 2.007917826e+01 1.68 1.780235890e+01 1.780235890e+01 1.70 1.571930975e+01 1.571930975e+01 1.72 1.381366155e+01 1.381366155e+01 1.74 1.207038690e+01 1.207038690e+01 1.76 1.047565741e+01 1.047565741e+01 1.78 9.016867524e+00 9.016867524e+00 1.80 7.682749255e+00 7.682749255e+00 1.82 6.463404386e+00 6.463404386e+00 1.84 5.350159551e+00 5.350159551e+00 1.86 4.335284117e+00 4.335284117e+00 1.88 3.411672659e+00 3.411672659e+00 1.90 2.572577710e+00 2.572577710e+00 1.92 1.811440810e+00 1.811440810e+00 1.94 1.121839721e+00 1.121839721e+00 1.96 4.975408413e-01 4.975408413e-01 1.98 -6.738308516e-02 -6.738308516e-02 2.00 -5.784229553e-01 -5.784229553e-01 2.02 -1.040536944e+00 -1.040536944e+00 2.04 -1.458115739e+00 -1.458115739e+00 2.06 -1.835011025e+00 -1.835011025e+00 2.08 -2.174604392e+00 -2.174604392e+00 2.10 -2.479888146e+00 -2.479888146e+00 2.12 -2.753540099e+00 -2.753540099e+00 2.14 -2.997985445e+00 -2.997985445e+00 2.16 -3.215443857e+00 -3.215443857e+00 2.18 -3.407962793e+00 -3.407962793e+00 2.20 -3.577441363e+00 -3.577441363e+00 2.22 -3.725650257e+00 -3.725650257e+00 2.24 -3.854250447e+00 -3.854250447e+00 2.26 -3.964809824e+00 -3.964809824e+00 2.28 -4.058816377e+00 -4.058816377e+00 2.30 -4.137687669e+00 -4.137687669e+00 2.32 -4.202775646e+00 -4.202775646e+00 2.34 -4.255363584e+00 -4.255363584e+00 2.36 -4.296703549e+00 -4.296703549e+00 2.38 -4.327945702e+00 -4.327945702e+00 2.40 -4.349932491e+00 -4.349932491e+00 2.42 -4.363414220e+00 -4.363414220e+00 2.44 -4.369062118e+00 -4.369062118e+00 2.46 -4.367484519e+00 -4.367484519e+00 2.48 -4.359248429e+00 -4.359248429e+00 2.50 -4.344862609e+00 -4.344862609e+00 2.52 -4.324530563e+00 -4.324530563e+00 2.54 -4.298375419e+00 -4.298375419e+00 2.56 -4.266621709e+00 -4.266621709e+00 2.58 -4.229578300e+00 -4.229578300e+00 2.60 -4.187614823e+00 -4.187614823e+00 2.62 -4.141132496e+00 -4.141132496e+00 2.64 -4.090533487e+00 -4.090533487e+00 2.66 -4.036145235e+00 -4.036145235e+00 2.68 -3.978157679e+00 -3.978157679e+00 2.70 -3.916759376e+00 -3.916759376e+00 2.72 -3.852162958e+00 -3.852162958e+00 2.74 -3.784610109e+00 -3.784610109e+00 2.76 -3.714372611e+00 -3.714372611e+00 2.78 -3.641747108e+00 -3.641747108e+00 2.80 -3.567044738e+00 -3.567044738e+00 2.82 -3.490578762e+00 -3.490578762e+00 2.84 -3.412653435e+00 -3.412653435e+00 2.86 -3.333555992e+00 -3.333555992e+00 2.88 -3.253552122e+00 -3.253552122e+00 2.90 -3.172884383e+00 -3.172884383e+00 2.92 -3.091772897e+00 -3.091772897e+00 2.94 -3.010417939e+00 -3.010417939e+00 2.96 -2.929004082e+00 -2.929004082e+00 2.98 -2.847705235e+00 -2.847705235e+00 3.00 -2.766689296e+00 -2.766689296e+00 3.02 -2.686120779e+00 -2.686120779e+00 3.04 -2.606160043e+00 -2.606160043e+00 3.06 -2.526958935e+00 -2.526958935e+00 3.08 -2.448654306e+00 -2.448654306e+00 3.10 -2.371362102e+00 -2.371362102e+00 3.12 -2.295174769e+00 -2.295174769e+00 3.14 -2.220163376e+00 -2.220163376e+00 3.16 -2.146384031e+00 -2.146384031e+00 3.18 -2.073886651e+00 -2.073886651e+00 3.20 -2.002723710e+00 -2.002723710e+00 3.22 -1.932956939e+00 -1.932956939e+00 3.24 -1.864660817e+00 -1.864660817e+00 3.26 -1.797922519e+00 -1.797922519e+00 3.28 -1.732838677e+00 -1.732838677e+00 3.30 -1.669509746e+00 -1.669509746e+00 3.32 -1.608033005e+00 -1.608033005e+00 3.34 -1.548495298e+00 -1.548495298e+00 3.36 -1.490966537e+00 -1.490966537e+00 3.38 -1.435494730e+00 -1.435494730e+00 3.40 -1.382103042e+00 -1.382103042e+00 3.42 -1.330788971e+00 -1.330788971e+00 3.44 -1.281525494e+00 -1.281525494e+00 3.46 -1.234263742e+00 -1.234263742e+00 3.48 -1.188936713e+00 -1.188936713e+00 3.50 -1.145463479e+00 -1.145463479e+00 3.52 -1.103753431e+00 -1.103753431e+00 3.54 -1.063710235e+00 -1.063710235e+00 3.56 -1.025235249e+00 -1.025235249e+00 3.58 -9.882303281e-01 -9.882303281e-01 3.60 -9.525999948e-01 -9.525999948e-01 3.62 -9.182530337e-01 -9.182530337e-01 3.64 -8.851036235e-01 -8.851036235e-01 3.66 -8.530721281e-01 -8.530721281e-01 3.68 -8.220856733e-01 -8.220856733e-01 3.70 -7.920786189e-01 -7.920786189e-01 3.72 -7.629930020e-01 -7.629930020e-01 3.74 -7.347789803e-01 -7.347789803e-01 3.76 -7.073952510e-01 -7.073952510e-01 3.78 -6.808093664e-01 -6.808093664e-01 3.80 -6.549978178e-01 -6.549978178e-01 3.82 -6.299457354e-01 -6.299457354e-01 3.84 -6.056460610e-01 -6.056460610e-01 3.86 -5.820981066e-01 -5.820981066e-01 3.88 -5.593055087e-01 -5.593055087e-01 3.90 -5.372737187e-01 -5.372737187e-01 3.92 -5.160072888e-01 -5.160072888e-01 3.94 -4.955072886e-01 -4.955072886e-01 3.96 -4.757691911e-01 -4.757691911e-01 3.98 -4.567814867e-01 -4.567814867e-01 4.00 -4.385251509e-01 -4.385251509e-01 4.02 -4.209739400e-01 -4.209739400e-01 4.04 -4.040953699e-01 -4.040953699e-01 4.06 -3.878521617e-01 -3.878521617e-01 4.08 -3.722039332e-01 -3.722039332e-01 4.10 -3.571089445e-01 -3.571089445e-01 4.12 -3.425257640e-01 -3.425257640e-01 4.14 -3.284147741e-01 -3.284147741e-01 4.16 -3.147394748e-01 -3.147394748e-01 4.18 -3.014675606e-01 -3.014675606e-01 4.20 -2.885717454e-01 -2.885717454e-01 4.22 -2.760303045e-01 -2.760303045e-01 4.24 -2.638272913e-01 -2.638272913e-01 4.26 -2.519524013e-01 -2.519524013e-01 4.28 -2.404004770e-01 -2.404004770e-01 4.30 -2.291707009e-01 -2.291707009e-01 4.32 -2.182655740e-01 -2.182655740e-01 4.34 -2.076898207e-01 -2.076898207e-01 4.36 -1.974493696e-01 -1.974493696e-01 4.38 -1.875505315e-01 -1.875505315e-01 4.40 -1.779994290e-01 -1.779994290e-01 4.42 -1.688016544e-01 -1.688016544e-01 4.44 -1.599620674e-01 -1.599620674e-01 4.46 -1.514846169e-01 -1.514846169e-01 4.48 -1.433720817e-01 -1.433720817e-01 4.50 -1.356256805e-01 -1.356256805e-01 4.52 -1.282445601e-01 -1.282445601e-01 4.54 -1.212252339e-01 -1.212252339e-01 4.56 -1.145610718e-01 -1.145610718e-01 4.58 -1.082419465e-01 -1.082419465e-01 4.60 -1.022541165e-01 -1.022541165e-01 4.62 -9.658038158e-02 -9.658038158e-02 4.64 -9.120048361e-02 -9.120048361e-02 4.66 -8.609145072e-02 -8.609145072e-02 4.68 -8.122917060e-02 -8.122917060e-02 4.70 -7.658887680e-02 -7.658887680e-02 4.72 -7.214585952e-02 -7.214585952e-02 4.74 -6.787639337e-02 -6.787639337e-02 4.76 -6.375859552e-02 -6.375859552e-02 4.78 -5.977319519e-02 -5.977319519e-02 4.80 -5.590419913e-02 -5.590419913e-02 4.82 -5.213943611e-02 -5.213943611e-02 4.84 -4.847095419e-02 -4.847095419e-02 4.86 -4.489524011e-02 -4.489524011e-02 4.88 -4.141322180e-02 -4.141322180e-02 4.90 -3.803002022e-02 -3.803002022e-02 4.92 -3.475442959e-02 -3.475442959e-02 4.94 -3.159813005e-02 -3.159813005e-02 4.96 -2.857467165e-02 -2.857467165e-02 4.98 -2.569830075e-02 -2.569830075e-02 5.00 -2.298273672e-02 -2.298273672e-02 5.02 -2.044002014e-02 -2.044002014e-02 5.04 -1.807954469e-02 -1.807954469e-02 5.06 -1.590736528e-02 -1.590736528e-02 5.08 -1.392551944e-02 -1.392551944e-02 5.10 -1.213240842e-02 -1.213240842e-02 5.12 -1.052354398e-02 -1.052354398e-02 5.14 -9.091284359e-03 -9.091284359e-03 5.16 -7.825488326e-03 -7.825488326e-03 5.18 -6.714230098e-03 -6.714230098e-03 5.20 -5.744492944e-03 -5.744492944e-03 5.22 -4.902789307e-03 -4.902789307e-03 5.24 -4.175676953e-03 -4.175676953e-03 5.26 -3.550159471e-03 -3.550159471e-03 5.28 -3.013973728e-03 -3.013973728e-03 5.30 -2.555776082e-03 -2.555776082e-03 5.32 -2.165244032e-03 -2.165244032e-03 5.34 -1.833111373e-03 -1.833111373e-03 5.36 -1.551154157e-03 -1.551154157e-03 5.38 -1.312142556e-03 -1.312142556e-03 5.40 -1.109771123e-03 -1.109771123e-03 5.42 -9.385771366e-04 -9.385771366e-04 5.44 -7.938542643e-04 -7.938542643e-04 5.46 -6.715666050e-04 -6.715666050e-04 5.48 -5.682664955e-04 -5.682664955e-04 5.50 -4.810181299e-04 -4.810181299e-04 5.52 -4.073280825e-04 -4.073280825e-04 5.54 -3.450831357e-04 -3.450831357e-04 5.56 -2.924953533e-04 -2.924953533e-04 5.58 -2.480540481e-04 -2.480540481e-04 5.60 -2.104841203e-04 -2.104841203e-04 5.62 -1.787101597e-04 -1.787101597e-04 5.64 -1.518256801e-04 -1.518256801e-04 5.66 -1.290668671e-04 -1.290668671e-04 5.68 -1.097902556e-04 -1.097902556e-04 5.70 -9.345380307e-05 -9.345380307e-05 5.72 -7.960088030e-05 -7.960088030e-05 5.74 -6.784675313e-05 -6.784675313e-05 5.76 -5.786718521e-05 -5.786718521e-05 5.78 -4.938883953e-05 -4.938883953e-05 5.80 -4.218120170e-05 -4.218120170e-05 5.82 -3.604978797e-05 -3.604978797e-05 5.84 -3.083043590e-05 -3.083043590e-05 5.86 -2.638450642e-05 -2.638450642e-05 5.88 -2.259485217e-05 -2.259485217e-05 5.90 -1.936242969e-05 -1.936242969e-05 5.92 -1.660345231e-05 -1.660345231e-05 5.94 -1.424699691e-05 -1.424699691e-05 5.96 -1.223299171e-05 -1.223299171e-05 5.98 -1.051052378e-05 -1.051052378e-05 6.00 -9.036414898e-06 -9.036414898e-06