# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--LAMMPS--ipr1 # composition = AlCo2Mn # 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 8.217541230e+02 8.217541230e+02 1.00 7.446683335e+02 7.446683335e+02 1.02 6.720252574e+02 6.720252574e+02 1.04 6.043546868e+02 6.043546868e+02 1.06 5.419107519e+02 5.419107519e+02 1.08 4.847431199e+02 4.847431199e+02 1.10 4.327533782e+02 4.327533782e+02 1.12 3.857393075e+02 3.857393075e+02 1.14 3.434293584e+02 3.434293584e+02 1.16 3.055092351e+02 3.055092351e+02 1.18 2.716420958e+02 2.716420958e+02 1.20 2.414836635e+02 2.414836635e+02 1.22 2.146932813e+02 2.146932813e+02 1.24 1.909417604e+02 1.909417604e+02 1.26 1.699167210e+02 1.699167210e+02 1.28 1.513259852e+02 1.513259852e+02 1.30 1.348994848e+02 1.348994848e+02 1.32 1.203900467e+02 1.203900467e+02 1.34 1.075733494e+02 1.075733494e+02 1.36 9.624728932e+01 9.624728932e+01 1.38 8.623093255e+01 8.623093255e+01 1.40 7.736320282e+01 7.736320282e+01 1.42 6.950141232e+01 6.950141232e+01 1.44 6.251971714e+01 6.251971714e+01 1.46 5.630755738e+01 5.630755738e+01 1.48 5.076813670e+01 5.076813670e+01 1.50 4.581697591e+01 4.581697591e+01 1.52 4.138054458e+01 4.138054458e+01 1.54 3.739499514e+01 3.739499514e+01 1.56 3.380499583e+01 3.380499583e+01 1.58 3.056266164e+01 3.056266164e+01 1.60 2.762659693e+01 2.762659693e+01 1.62 2.496101939e+01 2.496101939e+01 1.64 2.253499649e+01 2.253499649e+01 1.66 2.032179057e+01 2.032179057e+01 1.68 1.829828425e+01 1.829828425e+01 1.70 1.644447719e+01 1.644447719e+01 1.72 1.474304750e+01 1.474304750e+01 1.74 1.317897133e+01 1.317897133e+01 1.76 1.173919286e+01 1.173919286e+01 1.78 1.041231375e+01 1.041231375e+01 1.80 9.188297292e+00 9.188297292e+00 1.82 8.058260931e+00 8.058260931e+00 1.84 7.014317942e+00 7.014317942e+00 1.86 6.049442310e+00 6.049442310e+00 1.88 5.157353793e+00 5.157353793e+00 1.90 4.332420268e+00 4.332420268e+00 1.92 3.569574881e+00 3.569574881e+00 1.94 2.864245705e+00 2.864245705e+00 1.96 2.212287496e+00 2.212287496e+00 1.98 1.609907754e+00 1.609907754e+00 2.00 1.053659963e+00 1.053659963e+00 2.02 5.403990955e-01 5.403990955e-01 2.04 6.720884904e-02 6.720884904e-02 2.06 -3.685656623e-01 -3.685656623e-01 2.08 -7.693762747e-01 -7.693762747e-01 2.10 -1.137518943e+00 -1.137518943e+00 2.12 -1.475143948e+00 -1.475143948e+00 2.14 -1.784265161e+00 -1.784265161e+00 2.16 -2.066768682e+00 -2.066768682e+00 2.18 -2.324420786e+00 -2.324420786e+00 2.20 -2.558874191e+00 -2.558874191e+00 2.22 -2.771676243e+00 -2.771676243e+00 2.24 -2.964276379e+00 -2.964276379e+00 2.26 -3.138032242e+00 -3.138032242e+00 2.28 -3.294215389e+00 -3.294215389e+00 2.30 -3.434016627e+00 -3.434016627e+00 2.32 -3.558550973e+00 -3.558550973e+00 2.34 -3.668862311e+00 -3.668862311e+00 2.36 -3.765927733e+00 -3.765927733e+00 2.38 -3.850661628e+00 -3.850661628e+00 2.40 -3.923919542e+00 -3.923919542e+00 2.42 -3.986501548e+00 -3.986501548e+00 2.44 -4.039137286e+00 -4.039137286e+00 2.46 -4.082483009e+00 -4.082483009e+00 2.48 -4.117156144e+00 -4.117156144e+00 2.50 -4.143740168e+00 -4.143740168e+00 2.52 -4.162786398e+00 -4.162786398e+00 2.54 -4.174815688e+00 -4.174815688e+00 2.56 -4.180320017e+00 -4.180320017e+00 2.58 -4.179766693e+00 -4.179766693e+00 2.60 -4.173618026e+00 -4.173618026e+00 2.62 -4.162317724e+00 -4.162317724e+00 2.64 -4.146280872e+00 -4.146280872e+00 2.66 -4.125895491e+00 -4.125895491e+00 2.68 -4.101524075e+00 -4.101524075e+00 2.70 -4.073505060e+00 -4.073505060e+00 2.72 -4.042154210e+00 -4.042154210e+00 2.74 -4.007765945e+00 -4.007765945e+00 2.76 -3.970614595e+00 -3.970614595e+00 2.78 -3.930955598e+00 -3.930955598e+00 2.80 -3.889026627e+00 -3.889026627e+00 2.82 -3.845048653e+00 -3.845048653e+00 2.84 -3.799226949e+00 -3.799226949e+00 2.86 -3.751752041e+00 -3.751752041e+00 2.88 -3.702800594e+00 -3.702800594e+00 2.90 -3.652536256e+00 -3.652536256e+00 2.92 -3.601110451e+00 -3.601110451e+00 2.94 -3.548663129e+00 -3.548663129e+00 2.96 -3.495323474e+00 -3.495323474e+00 2.98 -3.441210573e+00 -3.441210573e+00 3.00 -3.386434050e+00 -3.386434050e+00 3.02 -3.331085346e+00 -3.331085346e+00 3.04 -3.275140374e+00 -3.275140374e+00 3.06 -3.218638602e+00 -3.218638602e+00 3.08 -3.162134742e+00 -3.162134742e+00 3.10 -3.105399894e+00 -3.105399894e+00 3.12 -3.048492282e+00 -3.048492282e+00 3.14 -2.991470470e+00 -2.991470470e+00 3.16 -2.934387600e+00 -2.934387600e+00 3.18 -2.877291805e+00 -2.877291805e+00 3.20 -2.820226596e+00 -2.820226596e+00 3.22 -2.763231239e+00 -2.763231239e+00 3.24 -2.706341121e+00 -2.706341121e+00 3.26 -2.649588104e+00 -2.649588104e+00 3.28 -2.593000868e+00 -2.593000868e+00 3.30 -2.536605248e+00 -2.536605248e+00 3.32 -2.480424567e+00 -2.480424567e+00 3.34 -2.424479958e+00 -2.424479958e+00 3.36 -2.368790683e+00 -2.368790683e+00 3.38 -2.313374450e+00 -2.313374450e+00 3.40 -2.258247717e+00 -2.258247717e+00 3.42 -2.203426000e+00 -2.203426000e+00 3.44 -2.148924165e+00 -2.148924165e+00 3.46 -2.094756719e+00 -2.094756719e+00 3.48 -2.040938090e+00 -2.040938090e+00 3.50 -1.987482890e+00 -1.987482890e+00 3.52 -1.934406177e+00 -1.934406177e+00 3.54 -1.881723686e+00 -1.881723686e+00 3.56 -1.829452054e+00 -1.829452054e+00 3.58 -1.777609013e+00 -1.777609013e+00 3.60 -1.726213566e+00 -1.726213566e+00 3.62 -1.675286128e+00 -1.675286128e+00 3.64 -1.624848641e+00 -1.624848641e+00 3.66 -1.574924645e+00 -1.574924645e+00 3.68 -1.525539321e+00 -1.525539321e+00 3.70 -1.476719483e+00 -1.476719483e+00 3.72 -1.428493535e+00 -1.428493535e+00 3.74 -1.380891374e+00 -1.380891374e+00 3.76 -1.333944253e+00 -1.333944253e+00 3.78 -1.287684595e+00 -1.287684595e+00 3.80 -1.242145767e+00 -1.242145767e+00 3.82 -1.197361801e+00 -1.197361801e+00 3.84 -1.153367087e+00 -1.153367087e+00 3.86 -1.110196026e+00 -1.110196026e+00 3.88 -1.067882654e+00 -1.067882654e+00 3.90 -1.026460247e+00 -1.026460247e+00 3.92 -9.859609150e-01 -9.859609150e-01 3.94 -9.464151801e-01 -9.464151801e-01 3.96 -9.078515727e-01 -9.078515727e-01 3.98 -8.702962323e-01 -8.702962323e-01 4.00 -8.337725337e-01 -8.337725337e-01 4.02 -7.983007453e-01 -7.983007453e-01 4.04 -7.638977269e-01 -7.638977269e-01 4.06 -7.305766741e-01 -7.305766741e-01 4.08 -6.983469170e-01 -6.983469170e-01 4.10 -6.672137754e-01 -6.672137754e-01 4.12 -6.371784755e-01 -6.371784755e-01 4.14 -6.082381282e-01 -6.082381282e-01 4.16 -5.803857696e-01 -5.803857696e-01 4.18 -5.536104611e-01 -5.536104611e-01 4.20 -5.278974459e-01 -5.278974459e-01 4.22 -5.032283573e-01 -5.032283573e-01 4.24 -4.795814733e-01 -4.795814733e-01 4.26 -4.569925233e-01 -4.569925233e-01 4.28 -4.368741036e-01 -4.368741036e-01 4.30 -4.240579269e-01 -4.240579269e-01 4.32 -4.204537935e-01 -4.204537935e-01 4.34 -4.072656439e-01 -4.072656439e-01 4.36 -3.905886868e-01 -3.905886868e-01 4.38 -3.744712568e-01 -3.744712568e-01 4.40 -3.588889311e-01 -3.588889311e-01 4.42 -3.438181189e-01 -3.438181189e-01 4.44 -3.292361262e-01 -3.292361262e-01 4.46 -3.151212068e-01 -3.151212068e-01 4.48 -3.014525997e-01 -3.014525997e-01 4.50 -2.882105543e-01 -2.882105543e-01 4.52 -2.753763441e-01 -2.753763441e-01 4.54 -2.629322687e-01 -2.629322687e-01 4.56 -2.508616476e-01 -2.508616476e-01 4.58 -2.391488039e-01 -2.391488039e-01 4.60 -2.277790403e-01 -2.277790403e-01 4.62 -2.167386085e-01 -2.167386085e-01 4.64 -2.060146722e-01 -2.060146722e-01 4.66 -1.955952652e-01 -1.955952652e-01 4.68 -1.854692454e-01 -1.854692454e-01 4.70 -1.756262457e-01 -1.756262457e-01 4.72 -1.660566223e-01 -1.660566223e-01 4.74 -1.567514024e-01 -1.567514024e-01 4.76 -1.477022311e-01 -1.477022311e-01 4.78 -1.389013184e-01 -1.389013184e-01 4.80 -1.303413884e-01 -1.303413884e-01 4.82 -1.220156286e-01 -1.220156286e-01 4.84 -1.139176433e-01 -1.139176433e-01 4.86 -1.060414087e-01 -1.060414087e-01 4.88 -9.838123144e-02 -9.838123144e-02 4.90 -9.093171087e-02 -9.093171087e-02 4.92 -8.350505525e-02 -8.350505525e-02 4.94 -7.404491100e-02 -7.404491100e-02 4.96 -5.817289101e-02 -5.817289101e-02 4.98 -3.100649262e-02 -3.100649262e-02 5.00 -2.894112162e-22 -2.904585544e-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