# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Mn # implementation = 2025--Sharifi-H--Fe-Co-Mn--LAMMPS--ipr1 # composition = CoFe2Mn # 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 2025-07-01 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 5.797417051e+02 5.797417051e+02 1.00 5.249428189e+02 5.249428189e+02 1.02 4.725933390e+02 4.725933390e+02 1.04 4.234802489e+02 4.234802489e+02 1.06 3.780448136e+02 3.780448136e+02 1.08 3.364767202e+02 3.364767202e+02 1.10 2.987871723e+02 2.987871723e+02 1.12 2.648645397e+02 2.648645397e+02 1.14 2.345163646e+02 2.345163646e+02 1.16 2.075007367e+02 2.075007367e+02 1.18 1.835493648e+02 1.835493648e+02 1.20 1.623842556e+02 1.623842556e+02 1.22 1.437294777e+02 1.437294777e+02 1.24 1.273191769e+02 1.273191769e+02 1.26 1.129027673e+02 1.129027673e+02 1.28 1.002480161e+02 1.002480161e+02 1.30 8.914258610e+01 8.914258610e+01 1.32 7.939446436e+01 7.939446436e+01 1.34 7.083161104e+01 7.083161104e+01 1.36 6.330108866e+01 6.330108866e+01 1.38 5.666785237e+01 5.666785237e+01 1.40 5.081335041e+01 5.081335041e+01 1.42 4.563403688e+01 4.563403688e+01 1.44 4.103987247e+01 4.103987247e+01 1.46 3.695286522e+01 3.695286522e+01 1.48 3.330568298e+01 3.330568298e+01 1.50 3.004036089e+01 3.004036089e+01 1.52 2.710711780e+01 2.710711780e+01 1.54 2.446328360e+01 2.446328360e+01 1.56 2.207233603e+01 2.207233603e+01 1.58 1.990304697e+01 1.990304697e+01 1.60 1.792872994e+01 1.792872994e+01 1.62 1.612658376e+01 1.612658376e+01 1.64 1.447712064e+01 1.447712064e+01 1.66 1.296367040e+01 1.296367040e+01 1.68 1.157195587e+01 1.157195587e+01 1.70 1.028972932e+01 1.028972932e+01 1.72 9.106458000e+00 9.106458000e+00 1.74 8.013021806e+00 8.013021806e+00 1.76 7.001465117e+00 7.001465117e+00 1.78 6.064821176e+00 6.064821176e+00 1.80 5.196968078e+00 5.196968078e+00 1.82 4.392506585e+00 4.392506585e+00 1.84 3.646657648e+00 3.646657648e+00 1.86 2.955175980e+00 2.955175980e+00 1.88 2.314277467e+00 2.314277467e+00 1.90 1.720580506e+00 1.720580506e+00 1.92 1.171050925e+00 1.171050925e+00 1.94 6.629399739e-01 6.629399739e-01 1.96 1.937441021e-01 1.937441021e-01 1.98 -2.388416089e-01 -2.388416089e-01 2.00 -6.369886024e-01 -6.369886024e-01 2.02 -1.002753695e+00 -1.002753695e+00 2.04 -1.338084724e+00 -1.338084724e+00 2.06 -1.644825890e+00 -1.644825890e+00 2.08 -1.924722864e+00 -1.924722864e+00 2.10 -2.179427644e+00 -2.179427644e+00 2.12 -2.410503204e+00 -2.410503204e+00 2.14 -2.619427646e+00 -2.619427646e+00 2.16 -2.807597468e+00 -2.807597468e+00 2.18 -2.976332795e+00 -2.976332795e+00 2.20 -3.126881639e+00 -3.126881639e+00 2.22 -3.260423507e+00 -3.260423507e+00 2.24 -3.378072853e+00 -3.378072853e+00 2.26 -3.480882362e+00 -3.480882362e+00 2.28 -3.569846090e+00 -3.569846090e+00 2.30 -3.645902455e+00 -3.645902455e+00 2.32 -3.709937085e+00 -3.709937085e+00 2.34 -3.762785531e+00 -3.762785531e+00 2.36 -3.805235860e+00 -3.805235860e+00 2.38 -3.838031112e+00 -3.838031112e+00 2.40 -3.861871644e+00 -3.861871644e+00 2.42 -3.877417363e+00 -3.877417363e+00 2.44 -3.885289972e+00 -3.885289972e+00 2.46 -3.886084207e+00 -3.886084207e+00 2.48 -3.880373720e+00 -3.880373720e+00 2.50 -3.868696481e+00 -3.868696481e+00 2.52 -3.851555413e+00 -3.851555413e+00 2.54 -3.829420565e+00 -3.829420565e+00 2.56 -3.802731154e+00 -3.802731154e+00 2.58 -3.771897476e+00 -3.771897476e+00 2.60 -3.737302697e+00 -3.737302697e+00 2.62 -3.699304530e+00 -3.699304530e+00 2.64 -3.658236809e+00 -3.658236809e+00 2.66 -3.614410961e+00 -3.614410961e+00 2.68 -3.568117390e+00 -3.568117390e+00 2.70 -3.519626773e+00 -3.519626773e+00 2.72 -3.469191272e+00 -3.469191272e+00 2.74 -3.417045677e+00 -3.417045677e+00 2.76 -3.363408475e+00 -3.363408475e+00 2.78 -3.308482851e+00 -3.308482851e+00 2.80 -3.252457633e+00 -3.252457633e+00 2.82 -3.195508173e+00 -3.195508173e+00 2.84 -3.137797179e+00 -3.137797179e+00 2.86 -3.079475494e+00 -3.079475494e+00 2.88 -3.020682827e+00 -3.020682827e+00 2.90 -2.961548444e+00 -2.961548444e+00 2.92 -2.902191813e+00 -2.902191813e+00 2.94 -2.842723211e+00 -2.842723211e+00 2.96 -2.783244296e+00 -2.783244296e+00 2.98 -2.723848646e+00 -2.723848646e+00 3.00 -2.664622265e+00 -2.664622265e+00 3.02 -2.605644055e+00 -2.605644055e+00 3.04 -2.546986266e+00 -2.546986266e+00 3.06 -2.488714920e+00 -2.488714920e+00 3.08 -2.430890200e+00 -2.430890200e+00 3.10 -2.373566833e+00 -2.373566833e+00 3.12 -2.316794432e+00 -2.316794432e+00 3.14 -2.260617835e+00 -2.260617835e+00 3.16 -2.205077409e+00 -2.205077409e+00 3.18 -2.150209349e+00 -2.150209349e+00 3.20 -2.096045953e+00 -2.096045953e+00 3.22 -2.042615881e+00 -2.042615881e+00 3.24 -1.989944400e+00 -1.989944400e+00 3.26 -1.938053616e+00 -1.938053616e+00 3.28 -1.886962689e+00 -1.886962689e+00 3.30 -1.836688042e+00 -1.836688042e+00 3.32 -1.787243547e+00 -1.787243547e+00 3.34 -1.738640714e+00 -1.738640714e+00 3.36 -1.690888853e+00 -1.690888853e+00 3.38 -1.643995242e+00 -1.643995242e+00 3.40 -1.597965273e+00 -1.597965273e+00 3.42 -1.552802597e+00 -1.552802597e+00 3.44 -1.508509257e+00 -1.508509257e+00 3.46 -1.465085810e+00 -1.465085810e+00 3.48 -1.422531451e+00 -1.422531451e+00 3.50 -1.380844119e+00 -1.380844119e+00 3.52 -1.340020602e+00 -1.340020602e+00 3.54 -1.300056636e+00 -1.300056636e+00 3.56 -1.260946996e+00 -1.260946996e+00 3.58 -1.222685580e+00 -1.222685580e+00 3.60 -1.185265492e+00 -1.185265492e+00 3.62 -1.148679116e+00 -1.148679116e+00 3.64 -1.112918187e+00 -1.112918187e+00 3.66 -1.077973856e+00 -1.077973856e+00 3.68 -1.043836754e+00 -1.043836754e+00 3.70 -1.010497044e+00 -1.010497044e+00 3.72 -9.779444837e-01 -9.779444837e-01 3.74 -9.461684666e-01 -9.461684666e-01 3.76 -9.151580742e-01 -9.151580742e-01 3.78 -8.849021171e-01 -8.849021171e-01 3.80 -8.553891764e-01 -8.553891764e-01 3.82 -8.266076403e-01 -8.266076403e-01 3.84 -7.985457393e-01 -7.985457393e-01 3.86 -7.711915783e-01 -7.711915783e-01 3.88 -7.445331661e-01 -7.445331661e-01 3.90 -7.185584431e-01 -7.185584431e-01 3.92 -6.932553060e-01 -6.932553060e-01 3.94 -6.686116318e-01 -6.686116318e-01 3.96 -6.446152984e-01 -6.446152984e-01 3.98 -6.212542042e-01 -6.212542042e-01 4.00 -5.985162861e-01 -5.985162861e-01 4.02 -5.763895353e-01 -5.763895353e-01 4.04 -5.548620122e-01 -5.548620122e-01 4.06 -5.339218594e-01 -5.339218594e-01 4.08 -5.135573138e-01 -5.135573138e-01 4.10 -4.937567168e-01 -4.937567168e-01 4.12 -4.745085240e-01 -4.745085240e-01 4.14 -4.558013138e-01 -4.558013138e-01 4.16 -4.376237939e-01 -4.376237939e-01 4.18 -4.199648084e-01 -4.199648084e-01 4.20 -4.028133428e-01 -4.028133428e-01 4.22 -3.861585287e-01 -3.861585287e-01 4.24 -3.699896474e-01 -3.699896474e-01 4.26 -3.540247733e-01 -3.540247733e-01 4.28 -3.325252680e-01 -3.325252680e-01 4.30 -2.872779522e-01 -2.872779522e-01 4.32 -2.557199795e-01 -2.557199795e-01 4.34 -2.544624345e-01 -2.544624345e-01 4.36 -2.448557446e-01 -2.448557446e-01 4.38 -2.355547207e-01 -2.355547207e-01 4.40 -2.265510828e-01 -2.265510828e-01 4.42 -2.178367285e-01 -2.178367285e-01 4.44 -2.094037276e-01 -2.094037276e-01 4.46 -2.012443183e-01 -2.012443183e-01 4.48 -1.933509039e-01 -1.933509039e-01 4.50 -1.857160509e-01 -1.857160509e-01 4.52 -1.783324869e-01 -1.783324869e-01 4.54 -1.711930992e-01 -1.711930992e-01 4.56 -1.642909330e-01 -1.642909330e-01 4.58 -1.576191901e-01 -1.576191901e-01 4.60 -1.511712274e-01 -1.511712274e-01 4.62 -1.449405552e-01 -1.449405552e-01 4.64 -1.389208358e-01 -1.389208358e-01 4.66 -1.331058814e-01 -1.331058814e-01 4.68 -1.274896526e-01 -1.274896526e-01 4.70 -1.220662564e-01 -1.220662564e-01 4.72 -1.168299442e-01 -1.168299442e-01 4.74 -1.117751094e-01 -1.117751094e-01 4.76 -1.068962861e-01 -1.068962861e-01 4.78 -1.021881459e-01 -1.021881459e-01 4.80 -9.764549641e-02 -9.764549641e-02 4.82 -9.326327870e-02 -9.326327870e-02 4.84 -8.903656493e-02 -8.903656493e-02 4.86 -8.496055608e-02 -8.496055608e-02 4.88 -8.103057958e-02 -8.103057958e-02 4.90 -7.724208692e-02 -7.724208692e-02 4.92 -7.377462005e-02 -7.377462005e-02 4.94 -7.289890931e-02 -7.289890931e-02 4.96 -7.730047655e-02 -7.730047655e-02 4.98 -6.817146680e-02 -6.817146680e-02 5.00 -2.282030730e-22 -2.283060112e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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