# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Al # implementation = 2025--Sharifi-H--Cu-Co-Al--LAMMPS--ipr1 # composition = Al2CoCu # 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 3.333936233e+02 3.333936233e+02 1.00 3.021511691e+02 3.021511691e+02 1.02 2.738777024e+02 2.738777024e+02 1.04 2.483161620e+02 2.483161620e+02 1.06 2.252251887e+02 2.252251887e+02 1.08 2.043792776e+02 2.043792776e+02 1.10 1.855687244e+02 1.855687244e+02 1.12 1.685993918e+02 1.685993918e+02 1.14 1.532923181e+02 1.532923181e+02 1.16 1.394832023e+02 1.394832023e+02 1.18 1.270217918e+02 1.270217918e+02 1.20 1.157711831e+02 1.157711831e+02 1.22 1.056070651e+02 1.056070651e+02 1.24 9.641692599e+01 9.641692599e+01 1.26 8.809924110e+01 8.809924110e+01 1.28 8.056265631e+01 8.056265631e+01 1.30 7.372518358e+01 7.372518358e+01 1.32 6.751341545e+01 6.751341545e+01 1.34 6.186176895e+01 6.186176895e+01 1.36 5.671176551e+01 5.671176551e+01 1.38 5.201134993e+01 5.201134993e+01 1.40 4.771425321e+01 4.771425321e+01 1.42 4.377939991e+01 4.377939991e+01 1.44 4.017036084e+01 4.017036084e+01 1.46 3.685483772e+01 3.685483772e+01 1.48 3.380420730e+01 3.380420730e+01 1.50 3.099312793e+01 3.099312793e+01 1.52 2.839916526e+01 2.839916526e+01 1.54 2.600245447e+01 2.600245447e+01 1.56 2.378539786e+01 2.378539786e+01 1.58 2.173239694e+01 2.173239694e+01 1.60 1.982962899e+01 1.982962899e+01 1.62 1.806480816e+01 1.806480816e+01 1.64 1.642690637e+01 1.642690637e+01 1.66 1.490591132e+01 1.490591132e+01 1.68 1.349270858e+01 1.349270858e+01 1.70 1.217899169e+01 1.217899169e+01 1.72 1.095718253e+01 1.095718253e+01 1.74 9.820360815e+00 9.820360815e+00 1.76 8.762201498e+00 8.762201498e+00 1.78 7.776922032e+00 7.776922032e+00 1.80 6.859233644e+00 6.859233644e+00 1.82 6.004291601e+00 6.004291601e+00 1.84 5.207655273e+00 5.207655273e+00 1.86 4.465252767e+00 4.465252767e+00 1.88 3.773349075e+00 3.773349075e+00 1.90 3.128517394e+00 3.128517394e+00 1.92 2.527613152e+00 2.527613152e+00 1.94 1.967750472e+00 1.967750472e+00 1.96 1.446279232e+00 1.446279232e+00 1.98 9.607579182e-01 9.607579182e-01 2.00 5.089240796e-01 5.089240796e-01 2.02 8.867748165e-02 8.867748165e-02 2.04 -3.018669967e-01 -3.018669967e-01 2.06 -6.643307389e-01 -6.643307389e-01 2.08 -1.000201639e+00 -1.000201639e+00 2.10 -1.310911215e+00 -1.310911215e+00 2.12 -1.597835192e+00 -1.597835192e+00 2.14 -1.862293793e+00 -1.862293793e+00 2.16 -2.105552280e+00 -2.105552280e+00 2.18 -2.328821719e+00 -2.328821719e+00 2.20 -2.533259933e+00 -2.533259933e+00 2.22 -2.719972602e+00 -2.719972602e+00 2.24 -2.890014489e+00 -2.890014489e+00 2.26 -3.044390773e+00 -3.044390773e+00 2.28 -3.184058453e+00 -3.184058453e+00 2.30 -3.309927817e+00 -3.309927817e+00 2.32 -3.422863957e+00 -3.422863957e+00 2.34 -3.523688308e+00 -3.523688308e+00 2.36 -3.613180210e+00 -3.613180210e+00 2.38 -3.692078476e+00 -3.692078476e+00 2.40 -3.761082954e+00 -3.761082954e+00 2.42 -3.820856085e+00 -3.820856085e+00 2.44 -3.872024435e+00 -3.872024435e+00 2.46 -3.915180240e+00 -3.915180240e+00 2.48 -3.950883408e+00 -3.950883408e+00 2.50 -3.979677094e+00 -3.979677094e+00 2.52 -4.002126821e+00 -4.002126821e+00 2.54 -4.018771054e+00 -4.018771054e+00 2.56 -4.030108118e+00 -4.030108118e+00 2.58 -4.036601725e+00 -4.036601725e+00 2.60 -4.038701887e+00 -4.038701887e+00 2.62 -4.036832482e+00 -4.036832482e+00 2.64 -4.031382330e+00 -4.031382330e+00 2.66 -4.022707767e+00 -4.022707767e+00 2.68 -4.011135098e+00 -4.011135098e+00 2.70 -3.996962896e+00 -3.996962896e+00 2.72 -3.980464125e+00 -3.980464125e+00 2.74 -3.961888117e+00 -3.961888117e+00 2.76 -3.941462414e+00 -3.941462414e+00 2.78 -3.919394469e+00 -3.919394469e+00 2.80 -3.895873230e+00 -3.895873230e+00 2.82 -3.871070613e+00 -3.871070613e+00 2.84 -3.845142864e+00 -3.845142864e+00 2.86 -3.818231821e+00 -3.818231821e+00 2.88 -3.790466086e+00 -3.790466086e+00 2.90 -3.761962111e+00 -3.761962111e+00 2.92 -3.732825205e+00 -3.732825205e+00 2.94 -3.703150460e+00 -3.703150460e+00 2.96 -3.673023613e+00 -3.673023613e+00 2.98 -3.642521843e+00 -3.642521843e+00 3.00 -3.611714507e+00 -3.611714507e+00 3.02 -3.580647941e+00 -3.580647941e+00 3.04 -3.549178612e+00 -3.549178612e+00 3.06 -3.517275936e+00 -3.517275936e+00 3.08 -3.485812563e+00 -3.485812563e+00 3.10 -3.454308909e+00 -3.454308909e+00 3.12 -3.422788962e+00 -3.422788962e+00 3.14 -3.391283415e+00 -3.391283415e+00 3.16 -3.359819307e+00 -3.359819307e+00 3.18 -3.328420376e+00 -3.328420376e+00 3.20 -3.297107379e+00 -3.297107379e+00 3.22 -3.265898390e+00 -3.265898390e+00 3.24 -3.234809069e+00 -3.234809069e+00 3.26 -3.203852915e+00 -3.203852915e+00 3.28 -3.173041487e+00 -3.173041487e+00 3.30 -3.142384615e+00 -3.142384615e+00 3.32 -3.111890589e+00 -3.111890589e+00 3.34 -3.081566329e+00 -3.081566329e+00 3.36 -3.051417545e+00 -3.051417545e+00 3.38 -3.021448878e+00 -3.021448878e+00 3.40 -2.991664030e+00 -2.991664030e+00 3.42 -2.962065878e+00 -2.962065878e+00 3.44 -2.932656588e+00 -2.932656588e+00 3.46 -2.903437700e+00 -2.903437700e+00 3.48 -2.874410225e+00 -2.874410225e+00 3.50 -2.845574714e+00 -2.845574714e+00 3.52 -2.816931335e+00 -2.816931335e+00 3.54 -2.788479928e+00 -2.788479928e+00 3.56 -2.760220067e+00 -2.760220067e+00 3.58 -2.732151107e+00 -2.732151107e+00 3.60 -2.704272226e+00 -2.704272226e+00 3.62 -2.676582467e+00 -2.676582467e+00 3.64 -2.649080772e+00 -2.649080772e+00 3.66 -2.621766010e+00 -2.621766010e+00 3.68 -2.594637003e+00 -2.594637003e+00 3.70 -2.567692552e+00 -2.567692552e+00 3.72 -2.540931453e+00 -2.540931453e+00 3.74 -2.514352514e+00 -2.514352514e+00 3.76 -2.487954569e+00 -2.487954569e+00 3.78 -2.461736494e+00 -2.461736494e+00 3.80 -2.435697210e+00 -2.435697210e+00 3.82 -2.409835693e+00 -2.409835693e+00 3.84 -2.384150983e+00 -2.384150983e+00 3.86 -2.358642184e+00 -2.358642184e+00 3.88 -2.333308471e+00 -2.333308471e+00 3.90 -2.308149089e+00 -2.308149089e+00 3.92 -2.283163357e+00 -2.283163357e+00 3.94 -2.258350664e+00 -2.258350664e+00 3.96 -2.233710474e+00 -2.233710474e+00 3.98 -2.209242318e+00 -2.209242318e+00 4.00 -2.184945798e+00 -2.184945798e+00 4.02 -2.160820581e+00 -2.160820581e+00 4.04 -2.136866397e+00 -2.136866397e+00 4.06 -2.113083036e+00 -2.113083036e+00 4.08 -2.089470345e+00 -2.089470345e+00 4.10 -2.066028221e+00 -2.066028221e+00 4.12 -2.042756615e+00 -2.042756615e+00 4.14 -2.019655517e+00 -2.019655517e+00 4.16 -1.996724961e+00 -1.996724961e+00 4.18 -1.973965017e+00 -1.973965017e+00 4.20 -1.951375788e+00 -1.951375788e+00 4.22 -1.928957403e+00 -1.928957403e+00 4.24 -1.906710018e+00 -1.906710018e+00 4.26 -1.884206596e+00 -1.884206596e+00 4.28 -1.852688438e+00 -1.852688438e+00 4.30 -1.786566058e+00 -1.786566058e+00 4.32 -1.670545446e+00 -1.670545446e+00 4.34 -1.598732077e+00 -1.598732077e+00 4.36 -1.578744506e+00 -1.578744506e+00 4.38 -1.558851956e+00 -1.558851956e+00 4.40 -1.539063306e+00 -1.539063306e+00 4.42 -1.519387304e+00 -1.519387304e+00 4.44 -1.499832411e+00 -1.499832411e+00 4.46 -1.480406675e+00 -1.480406675e+00 4.48 -1.461117620e+00 -1.461117620e+00 4.50 -1.441972167e+00 -1.441972167e+00 4.52 -1.422976583e+00 -1.422976583e+00 4.54 -1.404136452e+00 -1.404136452e+00 4.56 -1.385456669e+00 -1.385456669e+00 4.58 -1.366941448e+00 -1.366941448e+00 4.60 -1.348594356e+00 -1.348594356e+00 4.62 -1.330418347e+00 -1.330418347e+00 4.64 -1.312415817e+00 -1.312415817e+00 4.66 -1.294588653e+00 -1.294588653e+00 4.68 -1.276938290e+00 -1.276938290e+00 4.70 -1.259465769e+00 -1.259465769e+00 4.72 -1.242171793e+00 -1.242171793e+00 4.74 -1.225056775e+00 -1.225056775e+00 4.76 -1.208120882e+00 -1.208120882e+00 4.78 -1.191364085e+00 -1.191364085e+00 4.80 -1.174786184e+00 -1.174786184e+00 4.82 -1.158386845e+00 -1.158386845e+00 4.84 -1.142165625e+00 -1.142165625e+00 4.86 -1.126121986e+00 -1.126121986e+00 4.88 -1.110255321e+00 -1.110255321e+00 4.90 -1.094564958e+00 -1.094564958e+00 4.92 -1.076751689e+00 -1.076751689e+00 4.94 -1.027430775e+00 -1.027430775e+00 4.96 -8.678696000e-01 -8.678696000e-01 4.98 -4.866251480e-01 -4.866251480e-01 5.00 -4.922872065e-22 -4.943784775e-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