# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Mn # implementation = 2025--Sharifi-H--Cu-Co-Mn--LAMMPS--ipr1 # composition = CoCu2Mn # 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 1.061226601e+03 1.061226601e+03 1.00 9.579420457e+02 9.579420457e+02 1.02 8.612038442e+02 8.612038442e+02 1.04 7.718582886e+02 7.718582886e+02 1.06 6.901961638e+02 6.901961638e+02 1.08 6.161419688e+02 6.161419688e+02 1.10 5.493883589e+02 5.493883589e+02 1.12 4.894904564e+02 4.894904564e+02 1.14 4.359310757e+02 4.359310757e+02 1.16 3.881649733e+02 3.881649733e+02 1.18 3.456480560e+02 3.456480560e+02 1.20 3.078559490e+02 3.078559490e+02 1.22 2.742950980e+02 2.742950980e+02 1.24 2.445087178e+02 2.445087178e+02 1.26 2.180792526e+02 2.180792526e+02 1.28 1.946285281e+02 1.946285281e+02 1.30 1.738164143e+02 1.738164143e+02 1.32 1.553386164e+02 1.553386164e+02 1.34 1.389240500e+02 1.389240500e+02 1.36 1.243320092e+02 1.243320092e+02 1.38 1.113493006e+02 1.113493006e+02 1.40 9.978747049e+01 9.978747049e+01 1.42 8.948018724e+01 8.948018724e+01 1.44 8.028081616e+01 8.028081616e+01 1.46 7.206020487e+01 7.206020487e+01 1.48 6.470467808e+01 6.470467808e+01 1.50 5.811423570e+01 5.811423570e+01 1.52 5.220094425e+01 5.220094425e+01 1.54 4.688750384e+01 4.688750384e+01 1.56 4.210597658e+01 4.210597658e+01 1.58 3.779666239e+01 3.779666239e+01 1.60 3.390710477e+01 3.390710477e+01 1.62 3.039121459e+01 3.039121459e+01 1.64 2.720849767e+01 2.720849767e+01 1.66 2.432337333e+01 2.432337333e+01 1.68 2.170457491e+01 2.170457491e+01 1.70 1.932461256e+01 1.932461256e+01 1.72 1.715927769e+01 1.715927769e+01 1.74 1.518723661e+01 1.518723661e+01 1.76 1.338969016e+01 1.338969016e+01 1.78 1.175010072e+01 1.175010072e+01 1.80 1.025389312e+01 1.025389312e+01 1.82 8.888153403e+00 8.888153403e+00 1.84 7.641418424e+00 7.641418424e+00 1.86 6.503496886e+00 6.503496886e+00 1.88 5.465263065e+00 5.465263065e+00 1.90 4.518448937e+00 4.518448937e+00 1.92 3.655523562e+00 3.655523562e+00 1.94 2.869617022e+00 2.869617022e+00 1.96 2.154435462e+00 2.154435462e+00 1.98 1.504190138e+00 1.504190138e+00 2.00 9.135567421e-01 9.135567421e-01 2.02 3.776399095e-01 3.776399095e-01 2.04 -1.080599264e-01 -1.080599264e-01 2.06 -5.476774244e-01 -5.476774244e-01 2.08 -9.450110672e-01 -9.450110672e-01 2.10 -1.303548634e+00 -1.303548634e+00 2.12 -1.626465635e+00 -1.626465635e+00 2.14 -1.916655071e+00 -1.916655071e+00 2.16 -2.176779621e+00 -2.176779621e+00 2.18 -2.409290976e+00 -2.409290976e+00 2.20 -2.616446396e+00 -2.616446396e+00 2.22 -2.800324046e+00 -2.800324046e+00 2.24 -2.962841463e+00 -2.962841463e+00 2.26 -3.105773600e+00 -3.105773600e+00 2.28 -3.230754174e+00 -3.230754174e+00 2.30 -3.339285441e+00 -3.339285441e+00 2.32 -3.432748413e+00 -3.432748413e+00 2.34 -3.512382003e+00 -3.512382003e+00 2.36 -3.579281296e+00 -3.579281296e+00 2.38 -3.634458928e+00 -3.634458928e+00 2.40 -3.678855839e+00 -3.678855839e+00 2.42 -3.713334143e+00 -3.713334143e+00 2.44 -3.738643637e+00 -3.738643637e+00 2.46 -3.755474629e+00 -3.755474629e+00 2.48 -3.764477826e+00 -3.764477826e+00 2.50 -3.766266388e+00 -3.766266388e+00 2.52 -3.761417894e+00 -3.761417894e+00 2.54 -3.750476196e+00 -3.750476196e+00 2.56 -3.733953158e+00 -3.733953158e+00 2.58 -3.712330287e+00 -3.712330287e+00 2.60 -3.686060233e+00 -3.686060233e+00 2.62 -3.655568167e+00 -3.655568167e+00 2.64 -3.621253037e+00 -3.621253037e+00 2.66 -3.583488696e+00 -3.583488696e+00 2.68 -3.542624928e+00 -3.542624928e+00 2.70 -3.498988382e+00 -3.498988382e+00 2.72 -3.452883449e+00 -3.452883449e+00 2.74 -3.404593124e+00 -3.404593124e+00 2.76 -3.354379895e+00 -3.354379895e+00 2.78 -3.302486704e+00 -3.302486704e+00 2.80 -3.249138006e+00 -3.249138006e+00 2.82 -3.194540948e+00 -3.194540948e+00 2.84 -3.138886647e+00 -3.138886647e+00 2.86 -3.082351539e+00 -3.082351539e+00 2.88 -3.025098737e+00 -3.025098737e+00 2.90 -2.967279339e+00 -2.967279339e+00 2.92 -2.909033625e+00 -2.909033625e+00 2.94 -2.850492088e+00 -2.850492088e+00 2.96 -2.791776293e+00 -2.791776293e+00 2.98 -2.732999538e+00 -2.732999538e+00 3.00 -2.674267360e+00 -2.674267360e+00 3.02 -2.615768866e+00 -2.615768866e+00 3.04 -2.558699605e+00 -2.558699605e+00 3.06 -2.503478210e+00 -2.503478210e+00 3.08 -2.445757199e+00 -2.445757199e+00 3.10 -2.388451582e+00 -2.388451582e+00 3.12 -2.331682995e+00 -2.331682995e+00 3.14 -2.275510000e+00 -2.275510000e+00 3.16 -2.219985554e+00 -2.219985554e+00 3.18 -2.165157307e+00 -2.165157307e+00 3.20 -2.111067925e+00 -2.111067925e+00 3.22 -2.057755387e+00 -2.057755387e+00 3.24 -2.005253299e+00 -2.005253299e+00 3.26 -1.953591176e+00 -1.953591176e+00 3.28 -1.902794721e+00 -1.902794721e+00 3.30 -1.852886092e+00 -1.852886092e+00 3.32 -1.803884146e+00 -1.803884146e+00 3.34 -1.755804673e+00 -1.755804673e+00 3.36 -1.708660621e+00 -1.708660621e+00 3.38 -1.662462305e+00 -1.662462305e+00 3.40 -1.617217598e+00 -1.617217598e+00 3.42 -1.572932121e+00 -1.572932121e+00 3.44 -1.529609413e+00 -1.529609413e+00 3.46 -1.487251093e+00 -1.487251093e+00 3.48 -1.445857013e+00 -1.445857013e+00 3.50 -1.405425398e+00 -1.405425398e+00 3.52 -1.365952972e+00 -1.365952972e+00 3.54 -1.327435086e+00 -1.327435086e+00 3.56 -1.289865824e+00 -1.289865824e+00 3.58 -1.253238106e+00 -1.253238106e+00 3.60 -1.217543783e+00 -1.217543783e+00 3.62 -1.182773717e+00 -1.182773717e+00 3.64 -1.148917863e+00 -1.148917863e+00 3.66 -1.115965336e+00 -1.115965336e+00 3.68 -1.083904474e+00 -1.083904474e+00 3.70 -1.052722895e+00 -1.052722895e+00 3.72 -1.022407553e+00 -1.022407553e+00 3.74 -9.929447827e-01 -9.929447827e-01 3.76 -9.643203504e-01 -9.643203504e-01 3.78 -9.365194960e-01 -9.365194960e-01 3.80 -9.095269790e-01 -9.095269790e-01 3.82 -8.833271223e-01 -8.833271223e-01 3.84 -8.579038577e-01 -8.579038577e-01 3.86 -8.332407724e-01 -8.332407724e-01 3.88 -8.093211564e-01 -8.093211564e-01 3.90 -7.861280514e-01 -7.861280514e-01 3.92 -7.636442998e-01 -7.636442998e-01 3.94 -7.418525940e-01 -7.418525940e-01 3.96 -7.207355249e-01 -7.207355249e-01 3.98 -7.002756280e-01 -7.002756280e-01 4.00 -6.804554280e-01 -6.804554280e-01 4.02 -6.612574784e-01 -6.612574784e-01 4.04 -6.426643987e-01 -6.426643987e-01 4.06 -6.246589053e-01 -6.246589053e-01 4.08 -6.072238385e-01 -6.072238385e-01 4.10 -5.903421846e-01 -5.903421846e-01 4.12 -5.739970923e-01 -5.739970923e-01 4.14 -5.581718860e-01 -5.581718860e-01 4.16 -5.428500745e-01 -5.428500745e-01 4.18 -5.280153573e-01 -5.280153573e-01 4.20 -5.136516281e-01 -5.136516281e-01 4.22 -4.997429775e-01 -4.997429775e-01 4.24 -4.862736949e-01 -4.862736949e-01 4.26 -4.731418298e-01 -4.731418298e-01 4.28 -4.586552020e-01 -4.586552020e-01 4.30 -4.382644394e-01 -4.382644394e-01 4.32 -4.071941120e-01 -4.071941120e-01 4.34 -3.885291199e-01 -3.885291199e-01 4.36 -3.781472464e-01 -3.781472464e-01 4.38 -3.679971316e-01 -3.679971316e-01 4.40 -3.580741102e-01 -3.580741102e-01 4.42 -3.483739335e-01 -3.483739335e-01 4.44 -3.388927291e-01 -3.388927291e-01 4.46 -3.296269578e-01 -3.296269578e-01 4.48 -3.205733682e-01 -3.205733682e-01 4.50 -3.117289521e-01 -3.117289521e-01 4.52 -3.030908992e-01 -3.030908992e-01 4.54 -2.946565533e-01 -2.946565533e-01 4.56 -2.864233710e-01 -2.864233710e-01 4.58 -2.783888821e-01 -2.783888821e-01 4.60 -2.705506543e-01 -2.705506543e-01 4.62 -2.629062610e-01 -2.629062610e-01 4.64 -2.554532533e-01 -2.554532533e-01 4.66 -2.481891364e-01 -2.481891364e-01 4.68 -2.411113506e-01 -2.411113506e-01 4.70 -2.342172561e-01 -2.342172561e-01 4.72 -2.275041227e-01 -2.275041227e-01 4.74 -2.209691231e-01 -2.209691231e-01 4.76 -2.146093300e-01 -2.146093300e-01 4.78 -2.084217169e-01 -2.084217169e-01 4.80 -2.024031614e-01 -2.024031614e-01 4.82 -1.965504512e-01 -1.965504512e-01 4.84 -1.908602926e-01 -1.908602926e-01 4.86 -1.853293202e-01 -1.853293202e-01 4.88 -1.799541079e-01 -1.799541079e-01 4.90 -1.747311810e-01 -1.747311810e-01 4.92 -1.693239711e-01 -1.693239711e-01 4.94 -1.595419555e-01 -1.595419555e-01 4.96 -1.342049957e-01 -1.342049957e-01 4.98 -7.626057334e-02 -7.626057334e-02 5.00 -3.932029061e-23 -3.926830404e-23 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 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