# 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 = CuTaZr2 # 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 3.106983908e+02 3.106983908e+02 1.30 2.884011190e+02 2.884011190e+02 1.32 2.677371857e+02 2.677371857e+02 1.34 2.485814478e+02 2.485814478e+02 1.36 2.308180506e+02 2.308180506e+02 1.38 2.143398187e+02 2.143398187e+02 1.40 1.990478618e+02 1.990478618e+02 1.42 1.848506056e+02 1.848506056e+02 1.44 1.716625094e+02 1.716625094e+02 1.46 1.594033052e+02 1.594033052e+02 1.48 1.479980139e+02 1.479980139e+02 1.50 1.373772547e+02 1.373772547e+02 1.52 1.274775507e+02 1.274775507e+02 1.54 1.182414814e+02 1.182414814e+02 1.56 1.096177302e+02 1.096177302e+02 1.58 1.015610078e+02 1.015610078e+02 1.60 9.403165005e+01 9.403165005e+01 1.62 8.699480337e+01 8.699480337e+01 1.64 8.041942997e+01 8.041942997e+01 1.66 7.427739482e+01 7.427739482e+01 1.68 6.854281107e+01 6.854281107e+01 1.70 6.319169517e+01 6.319169517e+01 1.72 5.820162316e+01 5.820162316e+01 1.74 5.355134826e+01 5.355134826e+01 1.76 4.922038400e+01 4.922038400e+01 1.78 4.518872769e+01 4.518872769e+01 1.80 4.143673444e+01 4.143673444e+01 1.82 3.794517543e+01 3.794517543e+01 1.84 3.469531393e+01 3.469531393e+01 1.86 3.166916478e+01 3.166916478e+01 1.88 2.884977505e+01 2.884977505e+01 1.90 2.622148383e+01 2.622148383e+01 1.92 2.377002637e+01 2.377002637e+01 1.94 2.148249918e+01 2.148249918e+01 1.96 1.934721063e+01 1.934721063e+01 1.98 1.735442097e+01 1.735442097e+01 2.00 1.549798732e+01 1.549798732e+01 2.02 1.376969577e+01 1.376969577e+01 2.04 1.216122427e+01 1.216122427e+01 2.06 1.066486294e+01 1.066486294e+01 2.08 9.273451464e+00 9.273451464e+00 2.10 7.980255439e+00 7.980255439e+00 2.12 6.778927712e+00 6.778927712e+00 2.14 5.663505099e+00 5.663505099e+00 2.16 4.628437641e+00 4.628437641e+00 2.18 3.668586995e+00 3.668586995e+00 2.20 2.779201409e+00 2.779201409e+00 2.22 1.955838771e+00 1.955838771e+00 2.24 1.194302223e+00 1.194302223e+00 2.26 4.906030666e-01 4.906030666e-01 2.28 -1.590628258e-01 -1.590628258e-01 2.30 -7.582855149e-01 -7.582855149e-01 2.32 -1.310475899e+00 -1.310475899e+00 2.34 -1.818833457e+00 -1.818833457e+00 2.36 -2.286378471e+00 -2.286378471e+00 2.38 -2.715951038e+00 -2.715951038e+00 2.40 -3.110215855e+00 -3.110215855e+00 2.42 -3.471677073e+00 -3.471677073e+00 2.44 -3.802683154e+00 -3.802683154e+00 2.46 -4.105445136e+00 -4.105445136e+00 2.48 -4.382040317e+00 -4.382040317e+00 2.50 -4.634409092e+00 -4.634409092e+00 2.52 -4.864345771e+00 -4.864345771e+00 2.54 -5.073488305e+00 -5.073488305e+00 2.56 -5.263312288e+00 -5.263312288e+00 2.58 -5.435134205e+00 -5.435134205e+00 2.60 -5.590126780e+00 -5.590126780e+00 2.62 -5.729341128e+00 -5.729341128e+00 2.64 -5.853753552e+00 -5.853753552e+00 2.66 -5.964267845e+00 -5.964267845e+00 2.68 -6.061754831e+00 -6.061754831e+00 2.70 -6.147057685e+00 -6.147057685e+00 2.72 -6.220992620e+00 -6.220992620e+00 2.74 -6.284341715e+00 -6.284341715e+00 2.76 -6.337841292e+00 -6.337841292e+00 2.78 -6.382150922e+00 -6.382150922e+00 2.80 -6.417854439e+00 -6.417854439e+00 2.82 -6.445636007e+00 -6.445636007e+00 2.84 -6.465946697e+00 -6.465946697e+00 2.86 -6.479181308e+00 -6.479181308e+00 2.88 -6.485716494e+00 -6.485716494e+00 2.90 -6.485920660e+00 -6.485920660e+00 2.92 -6.480161431e+00 -6.480161431e+00 2.94 -6.468809623e+00 -6.468809623e+00 2.96 -6.452239630e+00 -6.452239630e+00 2.98 -6.430787404e+00 -6.430787404e+00 3.00 -6.404513578e+00 -6.404513578e+00 3.02 -6.373410196e+00 -6.373410196e+00 3.04 -6.337523589e+00 -6.337523589e+00 3.06 -6.296954400e+00 -6.296954400e+00 3.08 -6.251822674e+00 -6.251822674e+00 3.10 -6.202275497e+00 -6.202275497e+00 3.12 -6.148472901e+00 -6.148472901e+00 3.14 -6.090600635e+00 -6.090600635e+00 3.16 -6.028850174e+00 -6.028850174e+00 3.18 -5.963621661e+00 -5.963621661e+00 3.20 -5.895038208e+00 -5.895038208e+00 3.22 -5.823105598e+00 -5.823105598e+00 3.24 -5.747867874e+00 -5.747867874e+00 3.26 -5.669410521e+00 -5.669410521e+00 3.28 -5.587863879e+00 -5.587863879e+00 3.30 -5.503404256e+00 -5.503404256e+00 3.32 -5.416251325e+00 -5.416251325e+00 3.34 -5.326679636e+00 -5.326679636e+00 3.36 -5.234996943e+00 -5.234996943e+00 3.38 -5.141504459e+00 -5.141504459e+00 3.40 -5.046480399e+00 -5.046480399e+00 3.42 -4.950176493e+00 -4.950176493e+00 3.44 -4.852803505e+00 -4.852803505e+00 3.46 -4.754537990e+00 -4.754537990e+00 3.48 -4.655523242e+00 -4.655523242e+00 3.50 -4.555873700e+00 -4.555873700e+00 3.52 -4.455679878e+00 -4.455679878e+00 3.54 -4.355013242e+00 -4.355013242e+00 3.56 -4.253930903e+00 -4.253930903e+00 3.58 -4.152480186e+00 -4.152480186e+00 3.60 -4.050703289e+00 -4.050703289e+00 3.62 -3.948642164e+00 -3.948642164e+00 3.64 -3.846343748e+00 -3.846343748e+00 3.66 -3.743865522e+00 -3.743865522e+00 3.68 -3.641281286e+00 -3.641281286e+00 3.70 -3.538686922e+00 -3.538686922e+00 3.72 -3.436205776e+00 -3.436205776e+00 3.74 -3.333993199e+00 -3.333993199e+00 3.76 -3.232239667e+00 -3.232239667e+00 3.78 -3.131171841e+00 -3.131171841e+00 3.80 -3.031050945e+00 -3.031050945e+00 3.82 -2.932167924e+00 -2.932167924e+00 3.84 -2.834835110e+00 -2.834835110e+00 3.86 -2.739374541e+00 -2.739374541e+00 3.88 -2.646103615e+00 -2.646103615e+00 3.90 -2.555319376e+00 -2.555319376e+00 3.92 -2.467279727e+00 -2.467279727e+00 3.94 -2.382204793e+00 -2.382204793e+00 3.96 -2.300244917e+00 -2.300244917e+00 3.98 -2.221492439e+00 -2.221492439e+00 4.00 -2.145978123e+00 -2.145978123e+00 4.02 -2.073676210e+00 -2.073676210e+00 4.04 -2.004512621e+00 -2.004512621e+00 4.06 -1.938374877e+00 -1.938374877e+00 4.08 -1.875122440e+00 -1.875122440e+00 4.10 -1.814588015e+00 -1.814588015e+00 4.12 -1.756621541e+00 -1.756621541e+00 4.14 -1.701041296e+00 -1.701041296e+00 4.16 -1.647678743e+00 -1.647678743e+00 4.18 -1.596372116e+00 -1.596372116e+00 4.20 -1.546969275e+00 -1.546969275e+00 4.22 -1.499329593e+00 -1.499329593e+00 4.24 -1.453325125e+00 -1.453325125e+00 4.26 -1.408841239e+00 -1.408841239e+00 4.28 -1.365776873e+00 -1.365776873e+00 4.30 -1.324044495e+00 -1.324044495e+00 4.32 -1.283569842e+00 -1.283569842e+00 4.34 -1.244291416e+00 -1.244291416e+00 4.36 -1.206159743e+00 -1.206159743e+00 4.38 -1.169136337e+00 -1.169136337e+00 4.40 -1.133192369e+00 -1.133192369e+00 4.42 -1.098307027e+00 -1.098307027e+00 4.44 -1.064465623e+00 -1.064465623e+00 4.46 -1.031657533e+00 -1.031657533e+00 4.48 -9.998741134e-01 -9.998741134e-01 4.50 -9.691067336e-01 -9.691067336e-01 4.52 -9.393450985e-01 -9.393450985e-01 4.54 -9.105759624e-01 -9.105759624e-01 4.56 -8.827823183e-01 -8.827823183e-01 4.58 -8.559430672e-01 -8.559430672e-01 4.60 -8.300331232e-01 -8.300331232e-01 4.62 -8.050238660e-01 -8.050238660e-01 4.64 -7.808838289e-01 -7.808838289e-01 4.66 -7.575795098e-01 -7.575795098e-01 4.68 -7.350762041e-01 -7.350762041e-01 4.70 -7.133387836e-01 -7.133387836e-01 4.72 -6.923323682e-01 -6.923323682e-01 4.74 -6.720228671e-01 -6.720228671e-01 4.76 -6.523773795e-01 -6.523773795e-01 4.78 -6.333644657e-01 -6.333644657e-01 4.80 -6.149480997e-01 -6.149480997e-01 4.82 -5.971135993e-01 -5.971135993e-01 4.84 -5.798270532e-01 -5.798270532e-01 4.86 -5.630636283e-01 -5.630636283e-01 4.88 -5.467999933e-01 -5.467999933e-01 4.90 -5.310141992e-01 -5.310141992e-01 4.92 -5.156855470e-01 -5.156855470e-01 4.94 -5.007944540e-01 -5.007944540e-01 4.96 -4.863223208e-01 -4.863223208e-01 4.98 -4.722514074e-01 -4.722514074e-01 5.00 -4.585647180e-01 -4.585647180e-01 5.02 -4.452458990e-01 -4.452458990e-01 5.04 -4.322791512e-01 -4.322791512e-01 5.06 -4.196491580e-01 -4.196491580e-01 5.08 -4.073410306e-01 -4.073410306e-01 5.10 -3.953402742e-01 -3.953402742e-01 5.12 -3.836327744e-01 -3.836327744e-01 5.14 -3.722048089e-01 -3.722048089e-01 5.16 -3.610430858e-01 -3.610430858e-01 5.18 -3.501348115e-01 -3.501348115e-01 5.20 -3.394677900e-01 -3.394677900e-01 5.22 -3.290305555e-01 -3.290305555e-01 5.24 -3.188125377e-01 -3.188125377e-01 5.26 -3.088042561e-01 -3.088042561e-01 5.28 -2.989975388e-01 -2.989975388e-01 5.30 -2.893857529e-01 -2.893857529e-01 5.32 -2.799640331e-01 -2.799640331e-01 5.34 -2.707294860e-01 -2.707294860e-01 5.36 -2.616813465e-01 -2.616813465e-01 5.38 -2.528210575e-01 -2.528210575e-01 5.40 -2.441522454e-01 -2.441522454e-01 5.42 -2.356805701e-01 -2.356805701e-01 5.44 -2.274134341e-01 -2.274134341e-01 5.46 -2.193595515e-01 -2.193595515e-01 5.48 -2.115283932e-01 -2.115283932e-01 5.50 -2.039295428e-01 -2.039295428e-01 5.52 -1.965720130e-01 -1.965720130e-01 5.54 -1.894635780e-01 -1.894635780e-01 5.56 -1.826101824e-01 -1.826101824e-01 5.58 -1.760154751e-01 -1.760154751e-01 5.60 -1.696802775e-01 -1.696802775e-01 5.62 -1.636027934e-01 -1.636027934e-01 5.64 -1.577788867e-01 -1.577788867e-01 5.66 -1.522018559e-01 -1.522018559e-01 5.68 -1.468627556e-01 -1.468627556e-01 5.70 -1.417507930e-01 -1.417507930e-01 5.72 -1.368537545e-01 -1.368537545e-01 5.74 -1.321584276e-01 -1.321584276e-01 5.76 -1.276509906e-01 -1.276509906e-01 5.78 -1.233173515e-01 -1.233173515e-01 5.80 -1.191434291e-01 -1.191434291e-01 5.82 -1.151153728e-01 -1.151153728e-01 5.84 -1.112197271e-01 -1.112197271e-01 5.86 -1.074435466e-01 -1.074435466e-01 5.88 -1.037744727e-01 -1.037744727e-01 5.90 -1.002007806e-01 -1.002007806e-01 5.92 -9.671140773e-02 -9.671140773e-02 5.94 -9.329597178e-02 -9.329597178e-02 5.96 -8.994478688e-02 -8.994478688e-02 5.98 -8.664888403e-02 -8.664888403e-02 6.00 -8.340004141e-02 -8.340004141e-02