# 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 = AlCoTi2 # 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 1.744684529e+02 1.744684529e+02 1.30 1.613836034e+02 1.613836034e+02 1.32 1.492842032e+02 1.492842032e+02 1.34 1.380894781e+02 1.380894781e+02 1.36 1.277253295e+02 1.277253295e+02 1.38 1.181252519e+02 1.181252519e+02 1.40 1.092296888e+02 1.092296888e+02 1.42 1.009844109e+02 1.009844109e+02 1.44 9.333904941e+01 9.333904941e+01 1.46 8.624647117e+01 8.624647117e+01 1.48 7.966301668e+01 7.966301668e+01 1.50 7.354909244e+01 7.354909244e+01 1.52 6.786933828e+01 6.786933828e+01 1.54 6.259211829e+01 6.259211829e+01 1.56 5.768878296e+01 5.768878296e+01 1.58 5.313304896e+01 5.313304896e+01 1.60 4.890049835e+01 4.890049835e+01 1.62 4.496818926e+01 4.496818926e+01 1.64 4.131439802e+01 4.131439802e+01 1.66 3.791847003e+01 3.791847003e+01 1.68 3.476082919e+01 3.476082919e+01 1.70 3.182320534e+01 3.182320534e+01 1.72 2.908893942e+01 2.908893942e+01 1.74 2.654331370e+01 2.654331370e+01 1.76 2.417324846e+01 2.417324846e+01 1.78 2.196691271e+01 2.196691271e+01 1.80 1.991469863e+01 1.991469863e+01 1.82 1.800755540e+01 1.800755540e+01 1.84 1.623600217e+01 1.623600217e+01 1.86 1.459130964e+01 1.459130964e+01 1.88 1.306533782e+01 1.306533782e+01 1.90 1.165034736e+01 1.165034736e+01 1.92 1.033884286e+01 1.033884286e+01 1.94 9.123500890e+00 9.123500890e+00 1.96 7.997213365e+00 7.997213365e+00 1.98 6.953224686e+00 6.953224686e+00 2.00 5.985288524e+00 5.985288524e+00 2.02 5.087764975e+00 5.087764975e+00 2.04 4.255623879e+00 4.255623879e+00 2.06 3.484374736e+00 3.484374736e+00 2.08 2.769971240e+00 2.769971240e+00 2.10 2.108727203e+00 2.108727203e+00 2.12 1.497250656e+00 1.497250656e+00 2.14 9.323888961e-01 9.323888961e-01 2.16 4.111825702e-01 4.111825702e-01 2.18 -6.916812736e-02 -6.916812736e-02 2.20 -5.113247321e-01 -5.113247321e-01 2.22 -9.178245536e-01 -9.178245536e-01 2.24 -1.291089203e+00 -1.291089203e+00 2.26 -1.633424877e+00 -1.633424877e+00 2.28 -1.947011698e+00 -1.947011698e+00 2.30 -2.233884140e+00 -2.233884140e+00 2.32 -2.495912603e+00 -2.495912603e+00 2.34 -2.734791809e+00 -2.734791809e+00 2.36 -2.952042258e+00 -2.952042258e+00 2.38 -3.149025054e+00 -3.149025054e+00 2.40 -3.326969293e+00 -3.326969293e+00 2.42 -3.487007167e+00 -3.487007167e+00 2.44 -3.630209344e+00 -3.630209344e+00 2.46 -3.757614781e+00 -3.757614781e+00 2.48 -3.870250783e+00 -3.870250783e+00 2.50 -3.969142616e+00 -3.969142616e+00 2.52 -4.055314292e+00 -4.055314292e+00 2.54 -4.129783894e+00 -4.129783894e+00 2.56 -4.193556446e+00 -4.193556446e+00 2.58 -4.247614854e+00 -4.247614854e+00 2.60 -4.292963427e+00 -4.292963427e+00 2.62 -4.330544442e+00 -4.330544442e+00 2.64 -4.361048062e+00 -4.361048062e+00 2.66 -4.385091678e+00 -4.385091678e+00 2.68 -4.403215871e+00 -4.403215871e+00 2.70 -4.415901016e+00 -4.415901016e+00 2.72 -4.423489563e+00 -4.423489563e+00 2.74 -4.426257659e+00 -4.426257659e+00 2.76 -4.424406618e+00 -4.424406618e+00 2.78 -4.417961746e+00 -4.417961746e+00 2.80 -4.406942823e+00 -4.406942823e+00 2.82 -4.391415569e+00 -4.391415569e+00 2.84 -4.371831102e+00 -4.371831102e+00 2.86 -4.348713908e+00 -4.348713908e+00 2.88 -4.321955932e+00 -4.321955932e+00 2.90 -4.291480877e+00 -4.291480877e+00 2.92 -4.257278444e+00 -4.257278444e+00 2.94 -4.219398534e+00 -4.219398534e+00 2.96 -4.177946297e+00 -4.177946297e+00 2.98 -4.133080535e+00 -4.133080535e+00 3.00 -4.085016547e+00 -4.085016547e+00 3.02 -4.034037536e+00 -4.034037536e+00 3.04 -3.980477180e+00 -3.980477180e+00 3.06 -3.924699100e+00 -3.924699100e+00 3.08 -3.867076200e+00 -3.867076200e+00 3.10 -3.807967765e+00 -3.807967765e+00 3.12 -3.747698403e+00 -3.747698403e+00 3.14 -3.686544296e+00 -3.686544296e+00 3.16 -3.624727558e+00 -3.624727558e+00 3.18 -3.562419309e+00 -3.562419309e+00 3.20 -3.499747673e+00 -3.499747673e+00 3.22 -3.436808159e+00 -3.436808159e+00 3.24 -3.373673875e+00 -3.373673875e+00 3.26 -3.310404102e+00 -3.310404102e+00 3.28 -3.247050642e+00 -3.247050642e+00 3.30 -3.183662013e+00 -3.183662013e+00 3.32 -3.120285896e+00 -3.120285896e+00 3.34 -3.056970379e+00 -3.056970379e+00 3.36 -2.993764539e+00 -2.993764539e+00 3.38 -2.930718828e+00 -2.930718828e+00 3.40 -2.867885572e+00 -2.867885572e+00 3.42 -2.805319969e+00 -2.805319969e+00 3.44 -2.743081193e+00 -2.743081193e+00 3.46 -2.681234074e+00 -2.681234074e+00 3.48 -2.619850538e+00 -2.619850538e+00 3.50 -2.559010508e+00 -2.559010508e+00 3.52 -2.498801620e+00 -2.498801620e+00 3.54 -2.439317266e+00 -2.439317266e+00 3.56 -2.380652766e+00 -2.380652766e+00 3.58 -2.322900008e+00 -2.322900008e+00 3.60 -2.266141401e+00 -2.266141401e+00 3.62 -2.210444325e+00 -2.210444325e+00 3.64 -2.155857221e+00 -2.155857221e+00 3.66 -2.102408006e+00 -2.102408006e+00 3.68 -2.050104912e+00 -2.050104912e+00 3.70 -1.998939255e+00 -1.998939255e+00 3.72 -1.948889330e+00 -1.948889330e+00 3.74 -1.899924599e+00 -1.899924599e+00 3.76 -1.852009534e+00 -1.852009534e+00 3.78 -1.805106718e+00 -1.805106718e+00 3.80 -1.759179091e+00 -1.759179091e+00 3.82 -1.714191367e+00 -1.714191367e+00 3.84 -1.670110781e+00 -1.670110781e+00 3.86 -1.626907333e+00 -1.626907333e+00 3.88 -1.584553707e+00 -1.584553707e+00 3.90 -1.543024994e+00 -1.543024994e+00 3.92 -1.502298280e+00 -1.502298280e+00 3.94 -1.462352468e+00 -1.462352468e+00 3.96 -1.423167589e+00 -1.423167589e+00 3.98 -1.384724713e+00 -1.384724713e+00 4.00 -1.347005625e+00 -1.347005625e+00 4.02 -1.309992646e+00 -1.309992646e+00 4.04 -1.273668536e+00 -1.273668536e+00 4.06 -1.238016525e+00 -1.238016525e+00 4.08 -1.203020476e+00 -1.203020476e+00 4.10 -1.168665090e+00 -1.168665090e+00 4.12 -1.134936924e+00 -1.134936924e+00 4.14 -1.101824220e+00 -1.101824220e+00 4.16 -1.069318268e+00 -1.069318268e+00 4.18 -1.037414092e+00 -1.037414092e+00 4.20 -1.006111236e+00 -1.006111236e+00 4.22 -9.754143772e-01 -9.754143772e-01 4.24 -9.453336110e-01 -9.453336110e-01 4.26 -9.158842776e-01 -9.158842776e-01 4.28 -8.870862310e-01 -8.870862310e-01 4.30 -8.589625333e-01 -8.589625333e-01 4.32 -8.315376453e-01 -8.315376453e-01 4.34 -8.048352833e-01 -8.048352833e-01 4.36 -7.788761786e-01 -7.788761786e-01 4.38 -7.536760082e-01 -7.536760082e-01 4.40 -7.292437331e-01 -7.292437331e-01 4.42 -7.055805117e-01 -7.055805117e-01 4.44 -6.826792539e-01 -6.826792539e-01 4.46 -6.605247862e-01 -6.605247862e-01 4.48 -6.390945186e-01 -6.390945186e-01 4.50 -6.183594605e-01 -6.183594605e-01 4.52 -5.982854253e-01 -5.982854253e-01 4.54 -5.788342804e-01 -5.788342804e-01 4.56 -5.599651356e-01 -5.599651356e-01 4.58 -5.416354032e-01 -5.416354032e-01 4.60 -5.238017032e-01 -5.238017032e-01 4.62 -5.064206154e-01 -5.064206154e-01 4.64 -4.894493063e-01 -4.894493063e-01 4.66 -4.728460681e-01 -4.728460681e-01 4.68 -4.565708146e-01 -4.565708146e-01 4.70 -4.405855793e-01 -4.405855793e-01 4.72 -4.248550522e-01 -4.248550522e-01 4.74 -4.093471870e-01 -4.093471870e-01 4.76 -3.940338938e-01 -3.940338938e-01 4.78 -3.788918180e-01 -3.788918180e-01 4.80 -3.639031001e-01 -3.639031001e-01 4.82 -3.490566041e-01 -3.490566041e-01 4.84 -3.343481871e-01 -3.343481871e-01 4.86 -3.197817946e-01 -3.197817946e-01 4.88 -3.053698318e-01 -3.053698318e-01 4.90 -2.911333000e-01 -2.911333000e-01 4.92 -2.771014961e-01 -2.771014961e-01 4.94 -2.633112030e-01 -2.633112030e-01 4.96 -2.498053434e-01 -2.498053434e-01 4.98 -2.366311289e-01 -2.366311289e-01 5.00 -2.238378021e-01 -2.238378021e-01 5.02 -2.114741304e-01 -2.114741304e-01 5.04 -1.995858514e-01 -1.995858514e-01 5.06 -1.882132905e-01 -1.882132905e-01 5.08 -1.773893551e-01 -1.773893551e-01 5.10 -1.671380645e-01 -1.671380645e-01 5.12 -1.574737125e-01 -1.574737125e-01 5.14 -1.484006815e-01 -1.484006815e-01 5.16 -1.399138575e-01 -1.399138575e-01 5.18 -1.319995386e-01 -1.319995386e-01 5.20 -1.246366948e-01 -1.246366948e-01 5.22 -1.177984296e-01 -1.177984296e-01 5.24 -1.114534975e-01 -1.114534975e-01 5.26 -1.055677641e-01 -1.055677641e-01 5.28 -1.001055261e-01 -1.001055261e-01 5.30 -9.503063463e-02 -9.503063463e-02 5.32 -9.030710510e-02 -9.030710510e-02 5.34 -8.590023237e-02 -8.590023237e-02 5.36 -8.177750812e-02 -8.177750812e-02 5.38 -7.790821088e-02 -7.790821088e-02 5.40 -7.426366369e-02 -7.426366369e-02 5.42 -7.081736843e-02 -7.081736843e-02 5.44 -6.754504516e-02 -6.754504516e-02 5.46 -6.442460989e-02 -6.442460989e-02 5.48 -6.143611747e-02 -6.143611747e-02 5.50 -5.856169078e-02 -5.856169078e-02 5.52 -5.578545157e-02 -5.578545157e-02 5.54 -5.309346356e-02 -5.309346356e-02 5.56 -5.047369416e-02 -5.047369416e-02 5.58 -4.791599655e-02 -4.791599655e-02 5.60 -4.541211053e-02 -4.541211053e-02 5.62 -4.295567622e-02 -4.295567622e-02 5.64 -4.054225148e-02 -4.054225148e-02 5.66 -3.816932037e-02 -3.816932037e-02 5.68 -3.583628038e-02 -3.583628038e-02 5.70 -3.354438898e-02 -3.354438898e-02 5.72 -3.129665720e-02 -3.129665720e-02 5.74 -2.909767847e-02 -2.909767847e-02 5.76 -2.695338614e-02 -2.695338614e-02 5.78 -2.487074139e-02 -2.487074139e-02 5.80 -2.285735614e-02 -2.285735614e-02 5.82 -2.092107855e-02 -2.092107855e-02 5.84 -1.906956155e-02 -1.906956155e-02 5.86 -1.730984319e-02 -1.730984319e-02 5.88 -1.564797098e-02 -1.564797098e-02 5.90 -1.408869741e-02 -1.408869741e-02 5.92 -1.263517357e-02 -1.263517357e-02 5.94 -1.128880523e-02 -1.128880523e-02 5.96 -1.004974220e-02 -1.004974220e-02 5.98 -8.916556036e-03 -8.916556036e-03 6.00 -7.886373274e-03 -7.886373274e-03