# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoCrFe2 # 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 5.919050774e+02 5.919050774e+02 0.94 5.510798963e+02 5.510798963e+02 0.96 5.129061971e+02 5.129061971e+02 0.98 4.772187205e+02 4.772187205e+02 1.00 4.438621687e+02 4.438621687e+02 1.02 4.126906223e+02 4.126906223e+02 1.04 3.835669899e+02 3.835669899e+02 1.06 3.563624902e+02 3.563624902e+02 1.08 3.309561633e+02 3.309561633e+02 1.10 3.072344100e+02 3.072344100e+02 1.12 2.850905559e+02 2.850905559e+02 1.14 2.644244422e+02 2.644244422e+02 1.16 2.451420395e+02 2.451420395e+02 1.18 2.271550846e+02 2.271550846e+02 1.20 2.103807378e+02 2.103807378e+02 1.22 1.947412601e+02 1.947412601e+02 1.24 1.801637083e+02 1.801637083e+02 1.26 1.665796482e+02 1.665796482e+02 1.28 1.539248863e+02 1.539248863e+02 1.30 1.421392157e+02 1.421392157e+02 1.32 1.311661763e+02 1.311661763e+02 1.34 1.209528298e+02 1.209528298e+02 1.36 1.114495467e+02 1.114495467e+02 1.38 1.026098069e+02 1.026098069e+02 1.40 9.439001127e+01 9.439001127e+01 1.42 8.674930477e+01 8.674930477e+01 1.44 7.964941096e+01 7.964941096e+01 1.46 7.305447374e+01 7.305447374e+01 1.48 6.693090906e+01 6.693090906e+01 1.50 6.124726616e+01 6.124726616e+01 1.52 5.597409699e+01 5.597409699e+01 1.54 5.108383340e+01 5.108383340e+01 1.56 4.655067158e+01 4.655067158e+01 1.58 4.235046344e+01 4.235046344e+01 1.60 3.846061440e+01 3.846061440e+01 1.62 3.485998730e+01 3.485998730e+01 1.64 3.152881164e+01 3.152881164e+01 1.66 2.844859761e+01 2.844859761e+01 1.68 2.560205778e+01 2.560205778e+01 1.70 2.297303263e+01 2.297303263e+01 1.72 2.054641989e+01 2.054641989e+01 1.74 1.830810823e+01 1.830810823e+01 1.76 1.624491494e+01 1.624491494e+01 1.78 1.434452743e+01 1.434452743e+01 1.80 1.259544826e+01 1.259544826e+01 1.82 1.098694351e+01 1.098694351e+01 1.84 9.508994315e+00 9.508994315e+00 1.86 8.152251394e+00 8.152251394e+00 1.88 6.907992367e+00 6.907992367e+00 1.90 5.768082803e+00 5.768082803e+00 1.92 4.724938466e+00 4.724938466e+00 1.94 3.771488524e+00 3.771488524e+00 1.96 2.901142430e+00 2.901142430e+00 1.98 2.107758935e+00 2.107758935e+00 2.00 1.385617022e+00 1.385617022e+00 2.02 7.293886486e-01 7.293886486e-01 2.04 1.341131782e-01 1.341131782e-01 2.06 -4.048265869e-01 -4.048265869e-01 2.08 -8.917268746e-01 -8.917268746e-01 2.10 -1.330584006e+00 -1.330584006e+00 2.12 -1.725113870e+00 -1.725113870e+00 2.14 -2.078756943e+00 -2.078756943e+00 2.16 -2.394692434e+00 -2.394692434e+00 2.18 -2.675882331e+00 -2.675882331e+00 2.20 -2.925105988e+00 -2.925105988e+00 2.22 -3.144949776e+00 -3.144949776e+00 2.24 -3.337812297e+00 -3.337812297e+00 2.26 -3.505917138e+00 -3.505917138e+00 2.28 -3.651324788e+00 -3.651324788e+00 2.30 -3.775943780e+00 -3.775943780e+00 2.32 -3.881541109e+00 -3.881541109e+00 2.34 -3.969751968e+00 -3.969751968e+00 2.36 -4.042088843e+00 -4.042088843e+00 2.38 -4.099950015e+00 -4.099950015e+00 2.40 -4.144627495e+00 -4.144627495e+00 2.42 -4.177314440e+00 -4.177314440e+00 2.44 -4.199112073e+00 -4.199112073e+00 2.46 -4.211036145e+00 -4.211036145e+00 2.48 -4.214022960e+00 -4.214022960e+00 2.50 -4.208933385e+00 -4.208933385e+00 2.52 -4.196538931e+00 -4.196538931e+00 2.54 -4.177536743e+00 -4.177536743e+00 2.56 -4.152570457e+00 -4.152570457e+00 2.58 -4.122234161e+00 -4.122234161e+00 2.60 -4.087075765e+00 -4.087075765e+00 2.62 -4.047600144e+00 -4.047600144e+00 2.64 -4.004272081e+00 -4.004272081e+00 2.66 -3.957519008e+00 -3.957519008e+00 2.68 -3.907733567e+00 -3.907733567e+00 2.70 -3.855276698e+00 -3.855276698e+00 2.72 -3.800773170e+00 -3.800773170e+00 2.74 -3.746129180e+00 -3.746129180e+00 2.76 -3.689680106e+00 -3.689680106e+00 2.78 -3.629417382e+00 -3.629417382e+00 2.80 -3.567874995e+00 -3.567874995e+00 2.82 -3.505260473e+00 -3.505260473e+00 2.84 -3.441761697e+00 -3.441761697e+00 2.86 -3.377548248e+00 -3.377548248e+00 2.88 -3.312772662e+00 -3.312772662e+00 2.90 -3.247571599e+00 -3.247571599e+00 2.92 -3.182066932e+00 -3.182066932e+00 2.94 -3.116366758e+00 -3.116366758e+00 2.96 -3.050566353e+00 -3.050566353e+00 2.98 -2.984749058e+00 -2.984749058e+00 3.00 -2.918987133e+00 -2.918987133e+00 3.02 -2.853342558e+00 -2.853342558e+00 3.04 -2.787867815e+00 -2.787867815e+00 3.06 -2.722606659e+00 -2.722606659e+00 3.08 -2.657594884e+00 -2.657594884e+00 3.10 -2.592861107e+00 -2.592861107e+00 3.12 -2.528427592e+00 -2.528427592e+00 3.14 -2.464311128e+00 -2.464311128e+00 3.16 -2.400523984e+00 -2.400523984e+00 3.18 -2.337074969e+00 -2.337074969e+00 3.20 -2.273970623e+00 -2.273970623e+00 3.22 -2.211216553e+00 -2.211216553e+00 3.24 -2.148818937e+00 -2.148818937e+00 3.26 -2.086786211e+00 -2.086786211e+00 3.28 -2.025130927e+00 -2.025130927e+00 3.30 -1.963871778e+00 -1.963871778e+00 3.32 -1.903035720e+00 -1.903035720e+00 3.34 -1.842660139e+00 -1.842660139e+00 3.36 -1.782794934e+00 -1.782794934e+00 3.38 -1.723504355e+00 -1.723504355e+00 3.40 -1.664868425e+00 -1.664868425e+00 3.42 -1.606983692e+00 -1.606983692e+00 3.44 -1.549963093e+00 -1.549963093e+00 3.46 -1.493934711e+00 -1.493934711e+00 3.48 -1.439039249e+00 -1.439039249e+00 3.50 -1.385426151e+00 -1.385426151e+00 3.52 -1.333248437e+00 -1.333248437e+00 3.54 -1.282656470e+00 -1.282656470e+00 3.56 -1.233791040e+00 -1.233791040e+00 3.58 -1.186776299e+00 -1.186776299e+00 3.60 -1.141713167e+00 -1.141713167e+00 3.62 -1.098673827e+00 -1.098673827e+00 3.64 -1.057697872e+00 -1.057697872e+00 3.66 -1.018790485e+00 -1.018790485e+00 3.68 -9.819228052e-01 -9.819228052e-01 3.70 -9.470344314e-01 -9.470344314e-01 3.72 -9.140377294e-01 -9.140377294e-01 3.74 -8.828234913e-01 -8.828234913e-01 3.76 -8.532673626e-01 -8.532673626e-01 3.78 -8.252364501e-01 -8.252364501e-01 3.80 -7.985955732e-01 -7.985955732e-01 3.82 -7.731708904e-01 -7.731708904e-01 3.84 -7.452761374e-01 -7.452761374e-01 3.86 -6.992251384e-01 -6.992251384e-01 3.88 -6.207939830e-01 -6.207939830e-01 3.90 -5.601373330e-01 -5.601373330e-01 3.92 -5.433874563e-01 -5.433874563e-01 3.94 -5.271101727e-01 -5.271101727e-01 3.96 -5.112923484e-01 -5.112923484e-01 3.98 -4.959215906e-01 -4.959215906e-01 4.00 -4.809860311e-01 -4.809860311e-01 4.02 -4.664741958e-01 -4.664741958e-01 4.04 -4.523749286e-01 -4.523749286e-01 4.06 -4.386773496e-01 -4.386773496e-01 4.08 -4.253708320e-01 -4.253708320e-01 4.10 -4.124449909e-01 -4.124449909e-01 4.12 -3.998896767e-01 -3.998896767e-01 4.14 -3.876949709e-01 -3.876949709e-01 4.16 -3.758511835e-01 -3.758511835e-01 4.18 -3.643488501e-01 -3.643488501e-01 4.20 -3.531787294e-01 -3.531787294e-01 4.22 -3.423318003e-01 -3.423318003e-01 4.24 -3.317992592e-01 -3.317992592e-01 4.26 -3.215725164e-01 -3.215725164e-01 4.28 -3.116431933e-01 -3.116431933e-01 4.30 -3.020031187e-01 -3.020031187e-01 4.32 -2.926443253e-01 -2.926443253e-01 4.34 -2.835590464e-01 -2.835590464e-01 4.36 -2.747397119e-01 -2.747397119e-01 4.38 -2.661789445e-01 -2.661789445e-01 4.40 -2.578695565e-01 -2.578695565e-01 4.42 -2.491401612e-01 -2.491401612e-01 4.44 -2.317507451e-01 -2.317507451e-01 4.46 -1.858438693e-01 -1.858438693e-01 4.48 -9.311263600e-02 -9.311263600e-02 4.50 -1.183947649e-22 -1.183482792e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 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