# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoMg2Pb # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.274900474e+02 3.274900474e+02 1.30 3.037724427e+02 3.037724427e+02 1.32 2.818228520e+02 2.818228520e+02 1.34 2.614984915e+02 2.614984915e+02 1.36 2.426690184e+02 2.426690184e+02 1.38 2.252157355e+02 2.252157355e+02 1.40 2.090308369e+02 2.090308369e+02 1.42 1.940165194e+02 1.940165194e+02 1.44 1.800836728e+02 1.800836728e+02 1.46 1.671502884e+02 1.671502884e+02 1.48 1.551403302e+02 1.551403302e+02 1.50 1.439834849e+02 1.439834849e+02 1.52 1.336152906e+02 1.336152906e+02 1.54 1.239769388e+02 1.239769388e+02 1.56 1.150146960e+02 1.150146960e+02 1.58 1.066792266e+02 1.066792266e+02 1.60 9.892499591e+01 9.892499591e+01 1.62 9.171281149e+01 9.171281149e+01 1.64 8.500975823e+01 8.500975823e+01 1.66 7.877868928e+01 7.877868928e+01 1.68 7.298537583e+01 7.298537583e+01 1.70 6.759833201e+01 6.759833201e+01 1.72 6.258856255e+01 6.258856255e+01 1.74 5.792923230e+01 5.792923230e+01 1.76 5.359537501e+01 5.359537501e+01 1.78 4.956374427e+01 4.956374427e+01 1.80 4.581277955e+01 4.581277955e+01 1.82 4.232261249e+01 4.232261249e+01 1.84 3.907501261e+01 3.907501261e+01 1.86 3.605327192e+01 3.605327192e+01 1.88 3.324204099e+01 3.324204099e+01 1.90 3.062713903e+01 3.062713903e+01 1.92 2.819536633e+01 2.819536633e+01 1.94 2.593434132e+01 2.593434132e+01 1.96 2.383237249e+01 2.383237249e+01 1.98 2.187840254e+01 2.187840254e+01 2.00 2.006201894e+01 2.006201894e+01 2.02 1.837349820e+01 1.837349820e+01 2.04 1.680383543e+01 1.680383543e+01 2.06 1.534473371e+01 1.534473371e+01 2.08 1.398855694e+01 1.398855694e+01 2.10 1.272826952e+01 1.272826952e+01 2.12 1.155737299e+01 1.155737299e+01 2.14 1.046984497e+01 1.046984497e+01 2.16 9.460088925e+00 9.460088925e+00 2.18 8.522892384e+00 8.522892384e+00 2.20 7.653394344e+00 7.653394344e+00 2.22 6.847057113e+00 6.847057113e+00 2.24 6.099642965e+00 6.099642965e+00 2.26 5.407194897e+00 5.407194897e+00 2.28 4.766014787e+00 4.766014787e+00 2.30 4.172651554e+00 4.172651554e+00 2.32 3.623871832e+00 3.623871832e+00 2.34 3.116647958e+00 3.116647958e+00 2.36 2.648134735e+00 2.648134735e+00 2.38 2.215658240e+00 2.215658240e+00 2.40 1.816708525e+00 1.816708525e+00 2.42 1.448934549e+00 1.448934549e+00 2.44 1.110103273e+00 1.110103273e+00 2.46 7.981910790e-01 7.981910790e-01 2.48 5.113522963e-01 5.113522963e-01 2.50 2.478670284e-01 2.478670284e-01 2.52 6.129806813e-03 6.129806813e-03 2.54 -2.153642601e-01 -2.153642601e-01 2.56 -4.180325887e-01 -4.180325887e-01 2.58 -6.032138007e-01 -6.032138007e-01 2.60 -7.721523645e-01 -7.721523645e-01 2.62 -9.259638868e-01 -9.259638868e-01 2.64 -1.065686737e+00 -1.065686737e+00 2.66 -1.192282219e+00 -1.192282219e+00 2.68 -1.306638748e+00 -1.306638748e+00 2.70 -1.409577203e+00 -1.409577203e+00 2.72 -1.501860544e+00 -1.501860544e+00 2.74 -1.584203184e+00 -1.584203184e+00 2.76 -1.657277952e+00 -1.657277952e+00 2.78 -1.721719728e+00 -1.721719728e+00 2.80 -1.778129419e+00 -1.778129419e+00 2.82 -1.827071618e+00 -1.827071618e+00 2.84 -1.869077624e+00 -1.869077624e+00 2.86 -1.904645866e+00 -1.904645866e+00 2.88 -1.934243552e+00 -1.934243552e+00 2.90 -1.958308967e+00 -1.958308967e+00 2.92 -1.977254442e+00 -1.977254442e+00 2.94 -1.991469868e+00 -1.991469868e+00 2.96 -2.001326558e+00 -2.001326558e+00 2.98 -2.007184431e+00 -2.007184431e+00 3.00 -2.009423235e+00 -2.009423235e+00 3.02 -2.008352580e+00 -2.008352580e+00 3.04 -2.004260059e+00 -2.004260059e+00 3.06 -1.997430898e+00 -1.997430898e+00 3.08 -1.988135947e+00 -1.988135947e+00 3.10 -1.976630661e+00 -1.976630661e+00 3.12 -1.963149285e+00 -1.963149285e+00 3.14 -1.947906613e+00 -1.947906613e+00 3.16 -1.931087850e+00 -1.931087850e+00 3.18 -1.912853990e+00 -1.912853990e+00 3.20 -1.893375541e+00 -1.893375541e+00 3.22 -1.872798083e+00 -1.872798083e+00 3.24 -1.851216885e+00 -1.851216885e+00 3.26 -1.828727552e+00 -1.828727552e+00 3.28 -1.805425813e+00 -1.805425813e+00 3.30 -1.781406684e+00 -1.781406684e+00 3.32 -1.756763204e+00 -1.756763204e+00 3.34 -1.731584846e+00 -1.731584846e+00 3.36 -1.705955276e+00 -1.705955276e+00 3.38 -1.679928323e+00 -1.679928323e+00 3.40 -1.653520900e+00 -1.653520900e+00 3.42 -1.626752940e+00 -1.626752940e+00 3.44 -1.599647143e+00 -1.599647143e+00 3.46 -1.572229278e+00 -1.572229278e+00 3.48 -1.544527303e+00 -1.544527303e+00 3.50 -1.516571000e+00 -1.516571000e+00 3.52 -1.488391674e+00 -1.488391674e+00 3.54 -1.460021874e+00 -1.460021874e+00 3.56 -1.431495155e+00 -1.431495155e+00 3.58 -1.402845915e+00 -1.402845915e+00 3.60 -1.374109319e+00 -1.374109319e+00 3.62 -1.345321336e+00 -1.345321336e+00 3.64 -1.316518840e+00 -1.316518840e+00 3.66 -1.287739736e+00 -1.287739736e+00 3.68 -1.259023034e+00 -1.259023034e+00 3.70 -1.230408784e+00 -1.230408784e+00 3.72 -1.201937826e+00 -1.201937826e+00 3.74 -1.173651309e+00 -1.173651309e+00 3.76 -1.145590023e+00 -1.145590023e+00 3.78 -1.117793587e+00 -1.117793587e+00 3.80 -1.090299616e+00 -1.090299616e+00 3.82 -1.063142949e+00 -1.063142949e+00 3.84 -1.036355010e+00 -1.036355010e+00 3.86 -1.009963334e+00 -1.009963334e+00 3.88 -9.839912639e-01 -9.839912639e-01 3.90 -9.584577735e-01 -9.584577735e-01 3.92 -9.333769238e-01 -9.333769238e-01 3.94 -9.087600730e-01 -9.087600730e-01 3.96 -8.846127331e-01 -8.846127331e-01 3.98 -8.609372865e-01 -8.609372865e-01 4.00 -8.377328264e-01 -8.377328264e-01 4.02 -8.149957170e-01 -8.149957170e-01 4.04 -7.927202044e-01 -7.927202044e-01 4.06 -7.708990383e-01 -7.708990383e-01 4.08 -7.495240793e-01 -7.495240793e-01 4.10 -7.285852542e-01 -7.285852542e-01 4.12 -7.080778764e-01 -7.080778764e-01 4.14 -6.879924813e-01 -6.879924813e-01 4.16 -6.683227960e-01 -6.683227960e-01 4.18 -6.490641657e-01 -6.490641657e-01 4.20 -6.302138839e-01 -6.302138839e-01 4.22 -6.117713915e-01 -6.117713915e-01 4.24 -5.937382928e-01 -5.937382928e-01 4.26 -5.761181440e-01 -5.761181440e-01 4.28 -5.589159927e-01 -5.589159927e-01 4.30 -5.421376857e-01 -5.421376857e-01 4.32 -5.257890106e-01 -5.257890106e-01 4.34 -5.098747763e-01 -5.098747763e-01 4.36 -4.943979600e-01 -4.943979600e-01 4.38 -4.793590387e-01 -4.793590387e-01 4.40 -4.647555894e-01 -4.647555894e-01 4.42 -4.505821872e-01 -4.505821872e-01 4.44 -4.368305766e-01 -4.368305766e-01 4.46 -4.234900497e-01 -4.234900497e-01 4.48 -4.105479464e-01 -4.105479464e-01 4.50 -3.979901911e-01 -3.979901911e-01 4.52 -3.858018002e-01 -3.858018002e-01 4.54 -3.739673169e-01 -3.739673169e-01 4.56 -3.624711538e-01 -3.624711538e-01 4.58 -3.512978453e-01 -3.512978453e-01 4.60 -3.404322203e-01 -3.404322203e-01 4.62 -3.298595173e-01 -3.298595173e-01 4.64 -3.195654620e-01 -3.195654620e-01 4.66 -3.095363277e-01 -3.095363277e-01 4.68 -2.997589969e-01 -2.997589969e-01 4.70 -2.902210367e-01 -2.902210367e-01 4.72 -2.809107982e-01 -2.809107982e-01 4.74 -2.718175443e-01 -2.718175443e-01 4.76 -2.629316061e-01 -2.629316061e-01 4.78 -2.542445636e-01 -2.542445636e-01 4.80 -2.457483003e-01 -2.457483003e-01 4.82 -2.374399350e-01 -2.374399350e-01 4.84 -2.293145567e-01 -2.293145567e-01 4.86 -2.213705155e-01 -2.213705155e-01 4.88 -2.136080790e-01 -2.136080790e-01 4.90 -2.060293388e-01 -2.060293388e-01 4.92 -1.986379855e-01 -1.986379855e-01 4.94 -1.914389474e-01 -1.914389474e-01 4.96 -1.844379082e-01 -1.844379082e-01 4.98 -1.776407386e-01 -1.776407386e-01 5.00 -1.710528969e-01 -1.710528969e-01 5.02 -1.646788600e-01 -1.646788600e-01 5.04 -1.585216480e-01 -1.585216480e-01 5.06 -1.525824916e-01 -1.525824916e-01 5.08 -1.468606710e-01 -1.468606710e-01 5.10 -1.413535300e-01 -1.413535300e-01 5.12 -1.360566445e-01 -1.360566445e-01 5.14 -1.309641086e-01 -1.309641086e-01 5.16 -1.260688926e-01 -1.260688926e-01 5.18 -1.213632251e-01 -1.213632251e-01 5.20 -1.168389609e-01 -1.168389609e-01 5.22 -1.124879022e-01 -1.124879022e-01 5.24 -1.083020566e-01 -1.083020566e-01 5.26 -1.042738244e-01 -1.042738244e-01 5.28 -1.003961158e-01 -1.003961158e-01 5.30 -9.666240648e-02 -9.666240648e-02 5.32 -9.306674343e-02 -9.306674343e-02 5.34 -8.960371277e-02 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-3.261764925e-02 -3.261764925e-02 5.88 -3.119129689e-02 -3.119129689e-02 5.90 -2.979078654e-02 -2.979078654e-02 5.92 -2.841490029e-02 -2.841490029e-02 5.94 -2.706281273e-02 -2.706281273e-02 5.96 -2.573379606e-02 -2.573379606e-02 5.98 -2.442788427e-02 -2.442788427e-02 6.00 -2.314562716e-02 -2.314562716e-02