# 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 = AlCo2Pb # 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 1.875137277e+02 1.875137277e+02 1.30 1.741531887e+02 1.741531887e+02 1.32 1.617626962e+02 1.617626962e+02 1.34 1.502649610e+02 1.502649610e+02 1.36 1.395885462e+02 1.395885462e+02 1.38 1.296676528e+02 1.296676528e+02 1.40 1.204426375e+02 1.204426375e+02 1.42 1.118602897e+02 1.118602897e+02 1.44 1.038731972e+02 1.038731972e+02 1.46 9.643844338e+01 9.643844338e+01 1.48 8.951629289e+01 8.951629289e+01 1.50 8.306940305e+01 8.306940305e+01 1.52 7.706273162e+01 7.706273162e+01 1.54 7.146377725e+01 7.146377725e+01 1.56 6.624268156e+01 6.624268156e+01 1.58 6.137209323e+01 6.137209323e+01 1.60 5.682689254e+01 5.682689254e+01 1.62 5.258392988e+01 5.258392988e+01 1.64 4.862232985e+01 4.862232985e+01 1.66 4.492753479e+01 4.492753479e+01 1.68 4.148554153e+01 4.148554153e+01 1.70 3.827998997e+01 3.827998997e+01 1.72 3.529411210e+01 3.529411210e+01 1.74 3.251218953e+01 3.251218953e+01 1.76 2.991955377e+01 2.991955377e+01 1.78 2.750255139e+01 2.750255139e+01 1.80 2.524860276e+01 2.524860276e+01 1.82 2.314628890e+01 2.314628890e+01 1.84 2.118535483e+01 2.118535483e+01 1.86 1.935660845e+01 1.935660845e+01 1.88 1.765176600e+01 1.765176600e+01 1.90 1.606327664e+01 1.606327664e+01 1.92 1.458415028e+01 1.458415028e+01 1.94 1.320780144e+01 1.320780144e+01 1.96 1.192790255e+01 1.192790255e+01 1.98 1.073827897e+01 1.073827897e+01 2.00 9.632871334e+00 9.632871334e+00 2.02 8.605787835e+00 8.605787835e+00 2.04 7.651417823e+00 7.651417823e+00 2.06 6.764543866e+00 6.764543866e+00 2.08 5.940398040e+00 5.940398040e+00 2.10 5.174651458e+00 5.174651458e+00 2.12 4.463361975e+00 4.463361975e+00 2.14 3.802907856e+00 3.802907856e+00 2.16 3.189935274e+00 3.189935274e+00 2.18 2.621327481e+00 2.621327481e+00 2.20 2.094189804e+00 2.094189804e+00 2.22 1.605842640e+00 1.605842640e+00 2.24 1.153810508e+00 1.153810508e+00 2.26 7.358054722e-01 7.358054722e-01 2.28 3.497052642e-01 3.497052642e-01 2.30 -6.464677152e-03 -6.464677152e-03 2.32 -3.345529846e-01 -3.345529846e-01 2.34 -6.362904264e-01 -6.362904264e-01 2.36 -9.133026275e-01 -9.133026275e-01 2.38 -1.167115811e+00 -1.167115811e+00 2.40 -1.399162674e+00 -1.399162674e+00 2.42 -1.610788831e+00 -1.610788831e+00 2.44 -1.803260798e+00 -1.803260798e+00 2.46 -1.977775167e+00 -1.977775167e+00 2.48 -2.135469829e+00 -2.135469829e+00 2.50 -2.277507737e+00 -2.277507737e+00 2.52 -2.404921860e+00 -2.404921860e+00 2.54 -2.518662895e+00 -2.518662895e+00 2.56 -2.619694834e+00 -2.619694834e+00 2.58 -2.709002223e+00 -2.709002223e+00 2.60 -2.787584908e+00 -2.787584908e+00 2.62 -2.856435119e+00 -2.856435119e+00 2.64 -2.916520848e+00 -2.916520848e+00 2.66 -2.969319011e+00 -2.969319011e+00 2.68 -3.015523470e+00 -3.015523470e+00 2.70 -3.055346979e+00 -3.055346979e+00 2.72 -3.088985476e+00 -3.088985476e+00 2.74 -3.116618736e+00 -3.116618736e+00 2.76 -3.138417314e+00 -3.138417314e+00 2.78 -3.154550196e+00 -3.154550196e+00 2.80 -3.165191434e+00 -3.165191434e+00 2.82 -3.170527737e+00 -3.170527737e+00 2.84 -3.170764630e+00 -3.170764630e+00 2.86 -3.166111303e+00 -3.166111303e+00 2.88 -3.156778454e+00 -3.156778454e+00 2.90 -3.142978931e+00 -3.142978931e+00 2.92 -3.124930412e+00 -3.124930412e+00 2.94 -3.102860590e+00 -3.102860590e+00 2.96 -3.077014586e+00 -3.077014586e+00 2.98 -3.047663433e+00 -3.047663433e+00 3.00 -3.015111453e+00 -3.015111453e+00 3.02 -2.979699693e+00 -2.979699693e+00 3.04 -2.941802194e+00 -2.941802194e+00 3.06 -2.901817440e+00 -2.901817440e+00 3.08 -2.860146842e+00 -2.860146842e+00 3.10 -2.817186093e+00 -2.817186093e+00 3.12 -2.773310508e+00 -2.773310508e+00 3.14 -2.728797457e+00 -2.728797457e+00 3.16 -2.683869001e+00 -2.683869001e+00 3.18 -2.638700652e+00 -2.638700652e+00 3.20 -2.593425587e+00 -2.593425587e+00 3.22 -2.548142167e+00 -2.548142167e+00 3.24 -2.502921817e+00 -2.502921817e+00 3.26 -2.457816069e+00 -2.457816069e+00 3.28 -2.412860976e+00 -2.412860976e+00 3.30 -2.368076360e+00 -2.368076360e+00 3.32 -2.323475088e+00 -2.323475088e+00 3.34 -2.279068983e+00 -2.279068983e+00 3.36 -2.234870554e+00 -2.234870554e+00 3.38 -2.190894209e+00 -2.190894209e+00 3.40 -2.147156753e+00 -2.147156753e+00 3.42 -2.103678232e+00 -2.103678232e+00 3.44 -2.060480658e+00 -2.060480658e+00 3.46 -2.017588206e+00 -2.017588206e+00 3.48 -1.975026264e+00 -1.975026264e+00 3.50 -1.932820558e+00 -1.932820558e+00 3.52 -1.890996251e+00 -1.890996251e+00 3.54 -1.849577120e+00 -1.849577120e+00 3.56 -1.808584884e+00 -1.808584884e+00 3.58 -1.768038741e+00 -1.768038741e+00 3.60 -1.727955189e+00 -1.727955189e+00 3.62 -1.688348102e+00 -1.688348102e+00 3.64 -1.649229081e+00 -1.649229081e+00 3.66 -1.610607975e+00 -1.610607975e+00 3.68 -1.572493522e+00 -1.572493522e+00 3.70 -1.534893943e+00 -1.534893943e+00 3.72 -1.497817406e+00 -1.497817406e+00 3.74 -1.461272241e+00 -1.461272241e+00 3.76 -1.425266871e+00 -1.425266871e+00 3.78 -1.389809473e+00 -1.389809473e+00 3.80 -1.354907437e+00 -1.354907437e+00 3.82 -1.320566750e+00 -1.320566750e+00 3.84 -1.286791402e+00 -1.286791402e+00 3.86 -1.253582909e+00 -1.253582909e+00 3.88 -1.220940015e+00 -1.220940015e+00 3.90 -1.188858557e+00 -1.188858557e+00 3.92 -1.157331104e+00 -1.157331104e+00 3.94 -1.126348674e+00 -1.126348674e+00 3.96 -1.095898427e+00 -1.095898427e+00 3.98 -1.065965670e+00 -1.065965670e+00 4.00 -1.036533679e+00 -1.036533679e+00 4.02 -1.007584043e+00 -1.007584043e+00 4.04 -9.790970896e-01 -9.790970896e-01 4.06 -9.510524367e-01 -9.510524367e-01 4.08 -9.234297003e-01 -9.234297003e-01 4.10 -8.962084457e-01 -8.962084457e-01 4.12 -8.693732646e-01 -8.693732646e-01 4.14 -8.429088271e-01 -8.429088271e-01 4.16 -8.168057060e-01 -8.168057060e-01 4.18 -7.910606930e-01 -7.910606930e-01 4.20 -7.656781624e-01 -7.656781624e-01 4.22 -7.406711244e-01 -7.406711244e-01 4.24 -7.160617476e-01 -7.160617476e-01 4.26 -6.918811460e-01 -6.918811460e-01 4.28 -6.681682869e-01 -6.681682869e-01 4.30 -6.449679884e-01 -6.449679884e-01 4.32 -6.223281207e-01 -6.223281207e-01 4.34 -6.002962725e-01 -6.002962725e-01 4.36 -5.789162531e-01 -5.789162531e-01 4.38 -5.582248451e-01 -5.582248451e-01 4.40 -5.382491802e-01 -5.382491802e-01 4.42 -5.190049989e-01 -5.190049989e-01 4.44 -5.004959032e-01 -5.004959032e-01 4.46 -4.827135583e-01 -4.827135583e-01 4.48 -4.656386784e-01 -4.656386784e-01 4.50 -4.492425647e-01 -4.492425647e-01 4.52 -4.334889443e-01 -4.334889443e-01 4.54 -4.183358888e-01 -4.183358888e-01 4.56 -4.037376412e-01 -4.037376412e-01 4.58 -3.896462419e-01 -3.896462419e-01 4.60 -3.760129041e-01 -3.760129041e-01 4.62 -3.627891339e-01 -3.627891339e-01 4.64 -3.499276251e-01 -3.499276251e-01 4.66 -3.373829802e-01 -3.373829802e-01 4.68 -3.251123145e-01 -3.251123145e-01 4.70 -3.130758030e-01 -3.130758030e-01 4.72 -3.012372203e-01 -3.012372203e-01 4.74 -2.895645115e-01 -2.895645115e-01 4.76 -2.780304170e-01 -2.780304170e-01 4.78 -2.666131500e-01 -2.666131500e-01 4.80 -2.552963245e-01 -2.552963245e-01 4.82 -2.440728957e-01 -2.440728957e-01 4.84 -2.329406831e-01 -2.329406831e-01 4.86 -2.219063312e-01 -2.219063312e-01 4.88 -2.109845165e-01 -2.109845165e-01 4.90 -2.001976981e-01 -2.001976981e-01 4.92 -1.895754127e-01 -1.895754127e-01 4.94 -1.791530787e-01 -1.791530787e-01 4.96 -1.689703333e-01 -1.689703333e-01 4.98 -1.590689985e-01 -1.590689985e-01 5.00 -1.494908228e-01 -1.494908228e-01 5.02 -1.402752022e-01 -1.402752022e-01 5.04 -1.314570877e-01 -1.314570877e-01 5.06 -1.230652656e-01 -1.230652656e-01 5.08 -1.151209187e-01 -1.151209187e-01 5.10 -1.076370210e-01 -1.076370210e-01 5.12 -1.006193792e-01 -1.006193792e-01 5.14 -9.406606633e-02 -9.406606633e-02 5.16 -8.796825537e-02 -8.796825537e-02 5.18 -8.231137372e-02 -8.231137372e-02 5.20 -7.707637045e-02 -7.707637045e-02 5.22 -7.224098414e-02 -7.224098414e-02 5.24 -6.778091148e-02 -6.778091148e-02 5.26 -6.367082066e-02 -6.367082066e-02 5.28 -5.988517889e-02 -5.988517889e-02 5.30 -5.639887901e-02 -5.639887901e-02 5.32 -5.318756513e-02 -5.318756513e-02 5.34 -5.022824805e-02 -5.022824805e-02 5.36 -4.749934741e-02 -4.749934741e-02 5.38 -4.498068717e-02 -4.498068717e-02 5.40 -4.265350736e-02 -4.265350736e-02 5.42 -4.050043025e-02 -4.050043025e-02 5.44 -3.850540034e-02 -3.850540034e-02 5.46 -3.665361193e-02 -3.665361193e-02 5.48 -3.493143303e-02 -3.493143303e-02 5.50 -3.332633093e-02 -3.332633093e-02 5.52 -3.182680141e-02 -3.182680141e-02 5.54 -3.042230245e-02 -3.042230245e-02 5.56 -2.910319177e-02 -2.910319177e-02 5.58 -2.786066781e-02 -2.786066781e-02 5.60 -2.668671325e-02 -2.668671325e-02 5.62 -2.557404095e-02 -2.557404095e-02 5.64 -2.451604220e-02 -2.451604220e-02 5.66 -2.350673721e-02 -2.350673721e-02 5.68 -2.254072878e-02 -2.254072878e-02 5.70 -2.161315929e-02 -2.161315929e-02 5.72 -2.071967155e-02 -2.071967155e-02 5.74 -1.985637405e-02 -1.985637405e-02 5.76 -1.901981079e-02 -1.901981079e-02 5.78 -1.820693597e-02 -1.820693597e-02 5.80 -1.741509332e-02 -1.741509332e-02 5.82 -1.664199998e-02 -1.664199998e-02 5.84 -1.588573427e-02 -1.588573427e-02 5.86 -1.514472659e-02 -1.514472659e-02 5.88 -1.441775252e-02 -1.441775252e-02 5.90 -1.370392691e-02 -1.370392691e-02 5.92 -1.300269741e-02 -1.300269741e-02 5.94 -1.231383165e-02 -1.231383165e-02 5.96 -1.163735311e-02 -1.163735311e-02 5.98 -1.097363623e-02 -1.097363623e-02 6.00 -1.032335031e-02 -1.032335031e-02