# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Al # implementation = 2025--Sharifi-H--Ni-Co-Al--LAMMPS--ipr1 # composition = Al2CoNi # 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 3.535444173e+02 3.535444173e+02 1.00 3.211084177e+02 3.211084177e+02 1.02 2.918245843e+02 2.918245843e+02 1.04 2.654137741e+02 2.654137741e+02 1.06 2.416073676e+02 2.416073676e+02 1.08 2.201516849e+02 2.201516849e+02 1.10 2.008105462e+02 2.008105462e+02 1.12 1.833664914e+02 1.833664914e+02 1.14 1.676210583e+02 1.676210583e+02 1.16 1.533944052e+02 1.533944052e+02 1.18 1.405245018e+02 1.405245018e+02 1.20 1.288660508e+02 1.288660508e+02 1.22 1.182892532e+02 1.182892532e+02 1.24 1.086785109e+02 1.086785109e+02 1.26 9.993112027e+01 9.993112027e+01 1.28 9.195599992e+01 9.195599992e+01 1.30 8.467248386e+01 8.467248386e+01 1.32 7.800918593e+01 7.800918593e+01 1.34 7.190296151e+01 7.190296151e+01 1.36 6.629796307e+01 6.629796307e+01 1.38 6.114477970e+01 6.114477970e+01 1.40 5.639966626e+01 5.639966626e+01 1.42 5.202385592e+01 5.202385592e+01 1.44 4.798294958e+01 4.798294958e+01 1.46 4.424637035e+01 4.424637035e+01 1.48 4.078689063e+01 4.078689063e+01 1.50 3.758022816e+01 3.758022816e+01 1.52 3.460468407e+01 3.460468407e+01 1.54 3.184082601e+01 3.184082601e+01 1.56 2.927121264e+01 2.927121264e+01 1.58 2.688015439e+01 2.688015439e+01 1.60 2.465350548e+01 2.465350548e+01 1.62 2.257848370e+01 2.257848370e+01 1.64 2.064351424e+01 2.064351424e+01 1.66 1.883809390e+01 1.883809390e+01 1.68 1.715267359e+01 1.715267359e+01 1.70 1.557855603e+01 1.557855603e+01 1.72 1.410780676e+01 1.410780676e+01 1.74 1.273317668e+01 1.273317668e+01 1.76 1.144803433e+01 1.144803433e+01 1.78 1.024630890e+01 1.024630890e+01 1.80 9.122431743e+00 9.122431743e+00 1.82 8.071292401e+00 8.071292401e+00 1.84 7.088200612e+00 7.088200612e+00 1.86 6.168849853e+00 6.168849853e+00 1.88 5.309284753e+00 5.309284753e+00 1.90 4.505871937e+00 4.505871937e+00 1.92 3.755273733e+00 3.755273733e+00 1.94 3.054422227e+00 3.054422227e+00 1.96 2.400476260e+00 2.400476260e+00 1.98 1.790779593e+00 1.790779593e+00 2.00 1.222834548e+00 1.222834548e+00 2.02 6.942803644e-01 6.942803644e-01 2.04 2.028926061e-01 2.028926061e-01 2.06 -2.533643855e-01 -2.533643855e-01 2.08 -6.763943589e-01 -6.763943589e-01 2.10 -1.068014103e+00 -1.068014103e+00 2.12 -1.429956697e+00 -1.429956697e+00 2.14 -1.763874443e+00 -1.763874443e+00 2.16 -2.071341790e+00 -2.071341790e+00 2.18 -2.353858221e+00 -2.353858221e+00 2.20 -2.612851116e+00 -2.612851116e+00 2.22 -2.849678571e+00 -2.849678571e+00 2.24 -3.065632150e+00 -3.065632150e+00 2.26 -3.261939604e+00 -3.261939604e+00 2.28 -3.439767502e+00 -3.439767502e+00 2.30 -3.600223811e+00 -3.600223811e+00 2.32 -3.744360397e+00 -3.744360397e+00 2.34 -3.873175461e+00 -3.873175461e+00 2.36 -3.987615891e+00 -3.987615891e+00 2.38 -4.088579546e+00 -4.088579546e+00 2.40 -4.176917461e+00 -4.176917461e+00 2.42 -4.253435976e+00 -4.253435976e+00 2.44 -4.318898793e+00 -4.318898793e+00 2.46 -4.374028948e+00 -4.374028948e+00 2.48 -4.419513743e+00 -4.419513743e+00 2.50 -4.456048851e+00 -4.456048851e+00 2.52 -4.484359718e+00 -4.484359718e+00 2.54 -4.505131693e+00 -4.505131693e+00 2.56 -4.518997918e+00 -4.518997918e+00 2.58 -4.527015696e+00 -4.527015696e+00 2.60 -4.533876959e+00 -4.533876959e+00 2.62 -4.533819615e+00 -4.533819615e+00 2.64 -4.525604318e+00 -4.525604318e+00 2.66 -4.513090621e+00 -4.513090621e+00 2.68 -4.496687560e+00 -4.496687560e+00 2.70 -4.476770299e+00 -4.476770299e+00 2.72 -4.453682813e+00 -4.453682813e+00 2.74 -4.427740367e+00 -4.427740367e+00 2.76 -4.399231809e+00 -4.399231809e+00 2.78 -4.368421682e+00 -4.368421682e+00 2.80 -4.335552177e+00 -4.335552177e+00 2.82 -4.300844937e+00 -4.300844937e+00 2.84 -4.264502723e+00 -4.264502723e+00 2.86 -4.226710940e+00 -4.226710940e+00 2.88 -4.187639064e+00 -4.187639064e+00 2.90 -4.147441938e+00 -4.147441938e+00 2.92 -4.106260981e+00 -4.106260981e+00 2.94 -4.064225296e+00 -4.064225296e+00 2.96 -4.021452687e+00 -4.021452687e+00 2.98 -3.978050608e+00 -3.978050608e+00 3.00 -3.934117022e+00 -3.934117022e+00 3.02 -3.889741201e+00 -3.889741201e+00 3.04 -3.845004462e+00 -3.845004462e+00 3.06 -3.799980836e+00 -3.799980836e+00 3.08 -3.754737694e+00 -3.754737694e+00 3.10 -3.709336310e+00 -3.709336310e+00 3.12 -3.663832393e+00 -3.663832393e+00 3.14 -3.618276559e+00 -3.618276559e+00 3.16 -3.572714777e+00 -3.572714777e+00 3.18 -3.527188772e+00 -3.527188772e+00 3.20 -3.481736398e+00 -3.481736398e+00 3.22 -3.436391974e+00 -3.436391974e+00 3.24 -3.391186598e+00 -3.391186598e+00 3.26 -3.346148432e+00 -3.346148432e+00 3.28 -3.301302963e+00 -3.301302963e+00 3.30 -3.256673238e+00 -3.256673238e+00 3.32 -3.212280088e+00 -3.212280088e+00 3.34 -3.168142322e+00 -3.168142322e+00 3.36 -3.124276911e+00 -3.124276911e+00 3.38 -3.080699154e+00 -3.080699154e+00 3.40 -3.037422828e+00 -3.037422828e+00 3.42 -2.994460328e+00 -2.994460328e+00 3.44 -2.951822788e+00 -2.951822788e+00 3.46 -2.909520201e+00 -2.909520201e+00 3.48 -2.867561519e+00 -2.867561519e+00 3.50 -2.825954746e+00 -2.825954746e+00 3.52 -2.784707029e+00 -2.784707029e+00 3.54 -2.743824730e+00 -2.743824730e+00 3.56 -2.703313501e+00 -2.703313501e+00 3.58 -2.663178344e+00 -2.663178344e+00 3.60 -2.623423671e+00 -2.623423671e+00 3.62 -2.584053356e+00 -2.584053356e+00 3.64 -2.545070782e+00 -2.545070782e+00 3.66 -2.506478884e+00 -2.506478884e+00 3.68 -2.468280188e+00 -2.468280188e+00 3.70 -2.430476842e+00 -2.430476842e+00 3.72 -2.393070654e+00 -2.393070654e+00 3.74 -2.356063114e+00 -2.356063114e+00 3.76 -2.319455424e+00 -2.319455424e+00 3.78 -2.283248517e+00 -2.283248517e+00 3.80 -2.247443080e+00 -2.247443080e+00 3.82 -2.212039572e+00 -2.212039572e+00 3.84 -2.177038241e+00 -2.177038241e+00 3.86 -2.142439138e+00 -2.142439138e+00 3.88 -2.108242129e+00 -2.108242129e+00 3.90 -2.074446912e+00 -2.074446912e+00 3.92 -2.041053023e+00 -2.041053023e+00 3.94 -2.008059846e+00 -2.008059846e+00 3.96 -1.975466627e+00 -1.975466627e+00 3.98 -1.943272474e+00 -1.943272474e+00 4.00 -1.911476371e+00 -1.911476371e+00 4.02 -1.880077181e+00 -1.880077181e+00 4.04 -1.849073652e+00 -1.849073652e+00 4.06 -1.818464424e+00 -1.818464424e+00 4.08 -1.788248033e+00 -1.788248033e+00 4.10 -1.758422913e+00 -1.758422913e+00 4.12 -1.728987406e+00 -1.728987406e+00 4.14 -1.699939759e+00 -1.699939759e+00 4.16 -1.671278132e+00 -1.671278132e+00 4.18 -1.643000601e+00 -1.643000601e+00 4.20 -1.615105159e+00 -1.615105159e+00 4.22 -1.587589720e+00 -1.587589720e+00 4.24 -1.560452121e+00 -1.560452121e+00 4.26 -1.533120707e+00 -1.533120707e+00 4.28 -1.494029855e+00 -1.494029855e+00 4.30 -1.411002543e+00 -1.411002543e+00 4.32 -1.238168124e+00 -1.238168124e+00 4.34 -1.125697712e+00 -1.125697712e+00 4.36 -1.102436336e+00 -1.102436336e+00 4.38 -1.079557805e+00 -1.079557805e+00 4.40 -1.057059240e+00 -1.057059240e+00 4.42 -1.034937512e+00 -1.034937512e+00 4.44 -1.013189287e+00 -1.013189287e+00 4.46 -9.918110692e-01 -9.918110692e-01 4.48 -9.707992311e-01 -9.707992311e-01 4.50 -9.501500408e-01 -9.501500408e-01 4.52 -9.298596826e-01 -9.298596826e-01 4.54 -9.099242725e-01 -9.099242725e-01 4.56 -8.903398718e-01 -8.903398718e-01 4.58 -8.711024964e-01 -8.711024964e-01 4.60 -8.522081249e-01 -8.522081249e-01 4.62 -8.336527055e-01 -8.336527055e-01 4.64 -8.154321609e-01 -8.154321609e-01 4.66 -7.975423931e-01 -7.975423931e-01 4.68 -7.799792877e-01 -7.799792877e-01 4.70 -7.627387173e-01 -7.627387173e-01 4.72 -7.458165448e-01 -7.458165448e-01 4.74 -7.292086268e-01 -7.292086268e-01 4.76 -7.129108162e-01 -7.129108162e-01 4.78 -6.969189653e-01 -6.969189653e-01 4.80 -6.812289278e-01 -6.812289278e-01 4.82 -6.658365620e-01 -6.658365620e-01 4.84 -6.507377325e-01 -6.507377325e-01 4.86 -6.359283130e-01 -6.359283130e-01 4.88 -6.214041878e-01 -6.214041878e-01 4.90 -6.071612541e-01 -6.071612541e-01 4.92 -5.925571139e-01 -5.925571139e-01 4.94 -5.693303081e-01 -5.693303081e-01 4.96 -5.092754776e-01 -5.092754776e-01 4.98 -3.310827028e-01 -3.310827028e-01 5.00 -5.633343306e-22 -5.645943944e-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