# 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 = AlFePb2 # 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 2.806668252e+02 2.806668252e+02 1.30 2.614254808e+02 2.614254808e+02 1.32 2.435549775e+02 2.435549775e+02 1.34 2.269499404e+02 2.269499404e+02 1.36 2.115119587e+02 2.115119587e+02 1.38 1.971487202e+02 1.971487202e+02 1.40 1.837744876e+02 1.837744876e+02 1.42 1.713111339e+02 1.713111339e+02 1.44 1.596886375e+02 1.596886375e+02 1.46 1.488447422e+02 1.488447422e+02 1.48 1.387239131e+02 1.387239131e+02 1.50 1.292757307e+02 1.292757307e+02 1.52 1.204532123e+02 1.204532123e+02 1.54 1.122118449e+02 1.122118449e+02 1.56 1.045094117e+02 1.045094117e+02 1.58 9.730629226e+01 9.730629226e+01 1.60 9.056583360e+01 9.056583360e+01 1.62 8.425472587e+01 8.425472587e+01 1.64 7.834326147e+01 7.834326147e+01 1.66 7.280540054e+01 7.280540054e+01 1.68 6.762262356e+01 6.762262356e+01 1.70 6.278721123e+01 6.278721123e+01 1.72 5.828112161e+01 5.828112161e+01 1.74 5.408435567e+01 5.408435567e+01 1.76 5.017699568e+01 5.017699568e+01 1.78 4.653931790e+01 4.653931790e+01 1.80 4.315202456e+01 4.315202456e+01 1.82 3.999661552e+01 3.999661552e+01 1.84 3.705573582e+01 3.705573582e+01 1.86 3.431337250e+01 3.431337250e+01 1.88 3.175487702e+01 3.175487702e+01 1.90 2.936684442e+01 2.936684442e+01 1.92 2.713694386e+01 2.713694386e+01 1.94 2.505382250e+01 2.505382250e+01 1.96 2.310706447e+01 2.310706447e+01 1.98 2.128718524e+01 2.128718524e+01 2.00 1.958557809e+01 1.958557809e+01 2.02 1.799439736e+01 1.799439736e+01 2.04 1.650641846e+01 1.650641846e+01 2.06 1.511493487e+01 1.511493487e+01 2.08 1.381371408e+01 1.381371408e+01 2.10 1.259697860e+01 1.259697860e+01 2.12 1.145939486e+01 1.145939486e+01 2.14 1.039603534e+01 1.039603534e+01 2.16 9.402330390e+00 9.402330390e+00 2.18 8.474019891e+00 8.474019891e+00 2.20 7.607111295e+00 7.607111295e+00 2.22 6.797854617e+00 6.797854617e+00 2.24 6.042726351e+00 6.042726351e+00 2.26 5.338419204e+00 5.338419204e+00 2.28 4.681834723e+00 4.681834723e+00 2.30 4.070071683e+00 4.070071683e+00 2.32 3.500410602e+00 3.500410602e+00 2.34 2.970306474e+00 2.970306474e+00 2.36 2.477366412e+00 2.477366412e+00 2.38 2.019333750e+00 2.019333750e+00 2.40 1.594071482e+00 1.594071482e+00 2.42 1.199549514e+00 1.199549514e+00 2.44 8.338368433e-01 8.338368433e-01 2.46 4.951002751e-01 4.951002751e-01 2.48 1.816072216e-01 1.816072216e-01 2.50 -1.082695596e-01 -1.082695596e-01 2.52 -3.760484129e-01 -3.760484129e-01 2.54 -6.231392663e-01 -6.231392663e-01 2.56 -8.508500764e-01 -8.508500764e-01 2.58 -1.060399171e+00 -1.060399171e+00 2.60 -1.252930787e+00 -1.252930787e+00 2.62 -1.429528356e+00 -1.429528356e+00 2.64 -1.591226701e+00 -1.591226701e+00 2.66 -1.739007194e+00 -1.739007194e+00 2.68 -1.873797351e+00 -1.873797351e+00 2.70 -1.996471271e+00 -1.996471271e+00 2.72 -2.108415207e+00 -2.108415207e+00 2.74 -2.210489631e+00 -2.210489631e+00 2.76 -2.303075305e+00 -2.303075305e+00 2.78 -2.386536220e+00 -2.386536220e+00 2.80 -2.461223293e+00 -2.461223293e+00 2.82 -2.527480383e+00 -2.527480383e+00 2.84 -2.585650340e+00 -2.585650340e+00 2.86 -2.636078678e+00 -2.636078678e+00 2.88 -2.679126259e+00 -2.679126259e+00 2.90 -2.715170532e+00 -2.715170532e+00 2.92 -2.744590829e+00 -2.744590829e+00 2.94 -2.767768078e+00 -2.767768078e+00 2.96 -2.785061153e+00 -2.785061153e+00 2.98 -2.796782352e+00 -2.796782352e+00 3.00 -2.803255892e+00 -2.803255892e+00 3.02 -2.804826333e+00 -2.804826333e+00 3.04 -2.801855513e+00 -2.801855513e+00 3.06 -2.794720218e+00 -2.794720218e+00 3.08 -2.783799530e+00 -2.783799530e+00 3.10 -2.769467854e+00 -2.769467854e+00 3.12 -2.752082681e+00 -2.752082681e+00 3.14 -2.732004803e+00 -2.732004803e+00 3.16 -2.709591481e+00 -2.709591481e+00 3.18 -2.685047475e+00 -2.685047475e+00 3.20 -2.658553729e+00 -2.658553729e+00 3.22 -2.630280834e+00 -2.630280834e+00 3.24 -2.600391394e+00 -2.600391394e+00 3.26 -2.569042322e+00 -2.569042322e+00 3.28 -2.536386688e+00 -2.536386688e+00 3.30 -2.502570989e+00 -2.502570989e+00 3.32 -2.467719642e+00 -2.467719642e+00 3.34 -2.431952806e+00 -2.431952806e+00 3.36 -2.395394849e+00 -2.395394849e+00 3.38 -2.358171474e+00 -2.358171474e+00 3.40 -2.320406194e+00 -2.320406194e+00 3.42 -2.282218377e+00 -2.282218377e+00 3.44 -2.243718285e+00 -2.243718285e+00 3.46 -2.205006339e+00 -2.205006339e+00 3.48 -2.166171418e+00 -2.166171418e+00 3.50 -2.127290443e+00 -2.127290443e+00 3.52 -2.088428760e+00 -2.088428760e+00 3.54 -2.049641168e+00 -2.049641168e+00 3.56 -2.010973405e+00 -2.010973405e+00 3.58 -1.972463917e+00 -1.972463917e+00 3.60 -1.934145753e+00 -1.934145753e+00 3.62 -1.896048438e+00 -1.896048438e+00 3.64 -1.858199694e+00 -1.858199694e+00 3.66 -1.820626863e+00 -1.820626863e+00 3.68 -1.783357909e+00 -1.783357909e+00 3.70 -1.746421880e+00 -1.746421880e+00 3.72 -1.709848766e+00 -1.709848766e+00 3.74 -1.673668770e+00 -1.673668770e+00 3.76 -1.637911096e+00 -1.637911096e+00 3.78 -1.602602468e+00 -1.602602468e+00 3.80 -1.567765636e+00 -1.567765636e+00 3.82 -1.533418140e+00 -1.533418140e+00 3.84 -1.499571533e+00 -1.499571533e+00 3.86 -1.466231161e+00 -1.466231161e+00 3.88 -1.433396490e+00 -1.433396490e+00 3.90 -1.401061854e+00 -1.401061854e+00 3.92 -1.369216729e+00 -1.369216729e+00 3.94 -1.337849934e+00 -1.337849934e+00 3.96 -1.306945790e+00 -1.306945790e+00 3.98 -1.276488437e+00 -1.276488437e+00 4.00 -1.246461624e+00 -1.246461624e+00 4.02 -1.216849220e+00 -1.216849220e+00 4.04 -1.187635580e+00 -1.187635580e+00 4.06 -1.158805835e+00 -1.158805835e+00 4.08 -1.130346161e+00 -1.130346161e+00 4.10 -1.102241909e+00 -1.102241909e+00 4.12 -1.074487204e+00 -1.074487204e+00 4.14 -1.047071054e+00 -1.047071054e+00 4.16 -1.019988132e+00 -1.019988132e+00 4.18 -9.932368296e-01 -9.932368296e-01 4.20 -9.668199911e-01 -9.668199911e-01 4.22 -9.407455398e-01 -9.407455398e-01 4.24 -9.150268773e-01 -9.150268773e-01 4.26 -8.896829231e-01 -8.896829231e-01 4.28 -8.647376917e-01 -8.647376917e-01 4.30 -8.402193507e-01 -8.402193507e-01 4.32 -8.161587774e-01 -8.161587774e-01 4.34 -7.925877085e-01 -7.925877085e-01 4.36 -7.695366593e-01 -7.695366593e-01 4.38 -7.470328319e-01 -7.470328319e-01 4.40 -7.250982439e-01 -7.250982439e-01 4.42 -7.037482754e-01 -7.037482754e-01 4.44 -6.829907620e-01 -6.829907620e-01 4.46 -6.628256769e-01 -6.628256769e-01 4.48 -6.432453599e-01 -6.432453599e-01 4.50 -6.242351914e-01 -6.242351914e-01 4.52 -6.057745692e-01 -6.057745692e-01 4.54 -5.878380478e-01 -5.878380478e-01 4.56 -5.703965112e-01 -5.703965112e-01 4.58 -5.534182874e-01 -5.534182874e-01 4.60 -5.368701452e-01 -5.368701452e-01 4.62 -5.207181502e-01 -5.207181502e-01 4.64 -5.049283827e-01 -5.049283827e-01 4.66 -4.894675392e-01 -4.894675392e-01 4.68 -4.743034495e-01 -4.743034495e-01 4.70 -4.594055449e-01 -4.594055449e-01 4.72 -4.447453114e-01 -4.447453114e-01 4.74 -4.302967550e-01 -4.302967550e-01 4.76 -4.160368965e-01 -4.160368965e-01 4.78 -4.019463010e-01 -4.019463010e-01 4.80 -3.880081667e-01 -3.880081667e-01 4.82 -3.742149786e-01 -3.742149786e-01 4.84 -3.605595009e-01 -3.605595009e-01 4.86 -3.470418412e-01 -3.470418412e-01 4.88 -3.336679844e-01 -3.336679844e-01 4.90 -3.204498493e-01 -3.204498493e-01 4.92 -3.074050700e-01 -3.074050700e-01 4.94 -2.945564610e-01 -2.945564610e-01 4.96 -2.819311553e-01 -2.819311553e-01 4.98 -2.695594386e-01 -2.695594386e-01 5.00 -2.574733434e-01 -2.574733434e-01 5.02 -2.457051004e-01 -2.457051004e-01 5.04 -2.342855703e-01 -2.342855703e-01 5.06 -2.232427866e-01 -2.232427866e-01 5.08 -2.126007284e-01 -2.126007284e-01 5.10 -2.023784170e-01 -2.023784170e-01 5.12 -1.925893875e-01 -1.925893875e-01 5.14 -1.832415422e-01 -1.832415422e-01 5.16 -1.743373512e-01 -1.743373512e-01 5.18 -1.658743329e-01 -1.658743329e-01 5.20 -1.578457282e-01 -1.578457282e-01 5.22 -1.502412659e-01 -1.502412659e-01 5.24 -1.430479575e-01 -1.430479575e-01 5.26 -1.362508368e-01 -1.362508368e-01 5.28 -1.298336014e-01 -1.298336014e-01 5.30 -1.237791236e-01 -1.237791236e-01 5.32 -1.180698368e-01 -1.180698368e-01 5.34 -1.126880108e-01 -1.126880108e-01 5.36 -1.076159319e-01 -1.076159319e-01 5.38 -1.028359771e-01 -1.028359771e-01 5.40 -9.832978376e-02 -9.832978376e-02 5.42 -9.408045800e-02 -9.408045800e-02 5.44 -9.007177535e-02 -9.007177535e-02 5.46 -8.628759657e-02 -8.628759657e-02 5.48 -8.271201007e-02 -8.271201007e-02 5.50 -7.932945827e-02 -7.932945827e-02 5.52 -7.612484918e-02 -7.612484918e-02 5.54 -7.308365232e-02 -7.308365232e-02 5.56 -7.019197808e-02 -7.019197808e-02 5.58 -6.743663921e-02 -6.743663921e-02 5.60 -6.480519486e-02 -6.480519486e-02 5.62 -6.228597782e-02 -6.228597782e-02 5.64 -5.986810724e-02 -5.986810724e-02 5.66 -5.754148933e-02 -5.754148933e-02 5.68 -5.529680911e-02 -5.529680911e-02 5.70 -5.312551634e-02 -5.312551634e-02 5.72 -5.101980876e-02 -5.101980876e-02 5.74 -4.897261510e-02 -4.897261510e-02 5.76 -4.697758016e-02 -4.697758016e-02 5.78 -4.502905347e-02 -4.502905347e-02 5.80 -4.312208343e-02 -4.312208343e-02 5.82 -4.125241532e-02 -4.125241532e-02 5.84 -3.941649412e-02 -3.941649412e-02 5.86 -3.761147068e-02 -3.761147068e-02 5.88 -3.583520943e-02 -3.583520943e-02 5.90 -3.408629499e-02 -3.408629499e-02 5.92 -3.236403467e-02 -3.236403467e-02 5.94 -3.066845373e-02 -3.066845373e-02 5.96 -2.900027951e-02 -2.900027951e-02 5.98 -2.736090885e-02 -2.736090885e-02 6.00 -2.575236139e-02 -2.575236139e-02