# 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 = Ag2CuNi # 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 1.719749668e+02 1.719749668e+02 1.30 1.585769078e+02 1.585769078e+02 1.32 1.462155660e+02 1.462155660e+02 1.34 1.348044111e+02 1.348044111e+02 1.36 1.242654472e+02 1.242654472e+02 1.38 1.145288983e+02 1.145288983e+02 1.40 1.055319154e+02 1.055319154e+02 1.42 9.721721609e+01 9.721721609e+01 1.44 8.953192767e+01 8.953192767e+01 1.46 8.242669801e+01 8.242669801e+01 1.48 7.585536077e+01 7.585536077e+01 1.50 6.977520745e+01 6.977520745e+01 1.52 6.414738800e+01 6.414738800e+01 1.54 5.893686426e+01 5.893686426e+01 1.56 5.411183884e+01 5.411183884e+01 1.58 4.964309080e+01 4.964309080e+01 1.60 4.550493814e+01 4.550493814e+01 1.62 4.167476321e+01 4.167476321e+01 1.64 3.812979733e+01 3.812979733e+01 1.66 3.484926528e+01 3.484926528e+01 1.68 3.181400928e+01 3.181400928e+01 1.70 2.900613664e+01 2.900613664e+01 1.72 2.640880474e+01 2.640880474e+01 1.74 2.400612628e+01 2.400612628e+01 1.76 2.178317955e+01 2.178317955e+01 1.78 1.972611414e+01 1.972611414e+01 1.80 1.782229084e+01 1.782229084e+01 1.82 1.606035737e+01 1.606035737e+01 1.84 1.443018968e+01 1.443018968e+01 1.86 1.292270007e+01 1.292270007e+01 1.88 1.152957747e+01 1.152957747e+01 1.90 1.024304436e+01 1.024304436e+01 1.92 9.055689561e+00 9.055689561e+00 1.94 7.960398957e+00 7.960398957e+00 1.96 6.950374176e+00 6.950374176e+00 1.98 6.019205309e+00 6.019205309e+00 2.00 5.160951428e+00 5.160951428e+00 2.02 4.370189965e+00 4.370189965e+00 2.04 3.642017034e+00 3.642017034e+00 2.06 2.972002219e+00 2.972002219e+00 2.08 2.356115943e+00 2.356115943e+00 2.10 1.790652443e+00 1.790652443e+00 2.12 1.272165846e+00 1.272165846e+00 2.14 7.974254974e-01 7.974254974e-01 2.16 3.633875087e-01 3.633875087e-01 2.18 -3.282334669e-02 -3.282334669e-02 2.20 -3.939257293e-01 -3.939257293e-01 2.22 -7.224898817e-01 -7.224898817e-01 2.24 -1.020943204e+00 -1.020943204e+00 2.26 -1.291575530e+00 -1.291575530e+00 2.28 -1.536546889e+00 -1.536546889e+00 2.30 -1.757898096e+00 -1.757898096e+00 2.32 -1.957559282e+00 -1.957559282e+00 2.34 -2.137348102e+00 -2.137348102e+00 2.36 -2.298953399e+00 -2.298953399e+00 2.38 -2.443910319e+00 -2.443910319e+00 2.40 -2.573581002e+00 -2.573581002e+00 2.42 -2.689151107e+00 -2.689151107e+00 2.44 -2.791652855e+00 -2.791652855e+00 2.46 -2.881999231e+00 -2.881999231e+00 2.48 -2.961020540e+00 -2.961020540e+00 2.50 -3.029494909e+00 -3.029494909e+00 2.52 -3.088169048e+00 -3.088169048e+00 2.54 -3.137951015e+00 -3.137951015e+00 2.56 -3.179426889e+00 -3.179426889e+00 2.58 -3.212868160e+00 -3.212868160e+00 2.60 -3.238612085e+00 -3.238612085e+00 2.62 -3.257052177e+00 -3.257052177e+00 2.64 -3.268625420e+00 -3.268625420e+00 2.66 -3.273798831e+00 -3.273798831e+00 2.68 -3.273084917e+00 -3.273084917e+00 2.70 -3.267190462e+00 -3.267190462e+00 2.72 -3.256498456e+00 -3.256498456e+00 2.74 -3.241333381e+00 -3.241333381e+00 2.76 -3.222033574e+00 -3.222033574e+00 2.78 -3.198932677e+00 -3.198932677e+00 2.80 -3.172342929e+00 -3.172342929e+00 2.82 -3.142543527e+00 -3.142543527e+00 2.84 -3.109776496e+00 -3.109776496e+00 2.86 -3.074257775e+00 -3.074257775e+00 2.88 -3.036186901e+00 -3.036186901e+00 2.90 -2.995744464e+00 -2.995744464e+00 2.92 -2.953101918e+00 -2.953101918e+00 2.94 -2.908430593e+00 -2.908430593e+00 2.96 -2.861908416e+00 -2.861908416e+00 2.98 -2.813724357e+00 -2.813724357e+00 3.00 -2.764080745e+00 -2.764080745e+00 3.02 -2.713193423e+00 -2.713193423e+00 3.04 -2.661289503e+00 -2.661289503e+00 3.06 -2.608602553e+00 -2.608602553e+00 3.08 -2.555365390e+00 -2.555365390e+00 3.10 -2.501801332e+00 -2.501801332e+00 3.12 -2.448115275e+00 -2.448115275e+00 3.14 -2.394486240e+00 -2.394486240e+00 3.16 -2.341062680e+00 -2.341062680e+00 3.18 -2.287961168e+00 -2.287961168e+00 3.20 -2.235268213e+00 -2.235268213e+00 3.22 -2.183044386e+00 -2.183044386e+00 3.24 -2.131329694e+00 -2.131329694e+00 3.26 -2.080149223e+00 -2.080149223e+00 3.28 -2.029518378e+00 -2.029518378e+00 3.30 -1.979447295e+00 -1.979447295e+00 3.32 -1.929944267e+00 -1.929944267e+00 3.34 -1.881018167e+00 -1.881018167e+00 3.36 -1.832679902e+00 -1.832679902e+00 3.38 -1.784943029e+00 -1.784943029e+00 3.40 -1.737823655e+00 -1.737823655e+00 3.42 -1.691339796e+00 -1.691339796e+00 3.44 -1.645510375e+00 -1.645510375e+00 3.46 -1.600354043e+00 -1.600354043e+00 3.48 -1.555888011e+00 -1.555888011e+00 3.50 -1.512127016e+00 -1.512127016e+00 3.52 -1.469082522e+00 -1.469082522e+00 3.54 -1.426762211e+00 -1.426762211e+00 3.56 -1.385169777e+00 -1.385169777e+00 3.58 -1.344304988e+00 -1.344304988e+00 3.60 -1.304164020e+00 -1.304164020e+00 3.62 -1.264740003e+00 -1.264740003e+00 3.64 -1.226023789e+00 -1.226023789e+00 3.66 -1.188004923e+00 -1.188004923e+00 3.68 -1.150672810e+00 -1.150672810e+00 3.70 -1.114018081e+00 -1.114018081e+00 3.72 -1.078034080e+00 -1.078034080e+00 3.74 -1.042718392e+00 -1.042718392e+00 3.76 -1.008074250e+00 -1.008074250e+00 3.78 -9.741115930e-01 -9.741115930e-01 3.80 -9.408475506e-01 -9.408475506e-01 3.82 -9.083061171e-01 -9.083061171e-01 3.84 -8.765168828e-01 -8.765168828e-01 3.86 -8.455128165e-01 -8.455128165e-01 3.88 -8.153272724e-01 -8.153272724e-01 3.90 -7.859905658e-01 -7.859905658e-01 3.92 -7.575265721e-01 -7.575265721e-01 3.94 -7.299498267e-01 -7.299498267e-01 3.96 -7.032635030e-01 -7.032635030e-01 3.98 -6.774585002e-01 -6.774585002e-01 4.00 -6.525136497e-01 -6.525136497e-01 4.02 -6.283968827e-01 -6.283968827e-01 4.04 -6.050670890e-01 -6.050670890e-01 4.06 -5.824763560e-01 -5.824763560e-01 4.08 -5.605723143e-01 -5.605723143e-01 4.10 -5.393003829e-01 -5.393003829e-01 4.12 -5.186058103e-01 -5.186058103e-01 4.14 -4.984354367e-01 -4.984354367e-01 4.16 -4.787392318e-01 -4.787392318e-01 4.18 -4.594716121e-01 -4.594716121e-01 4.20 -4.405925918e-01 -4.405925918e-01 4.22 -4.220687950e-01 -4.220687950e-01 4.24 -4.038743346e-01 -4.038743346e-01 4.26 -3.859915398e-01 -3.859915398e-01 4.28 -3.684114945e-01 -3.684114945e-01 4.30 -3.511343349e-01 -3.511343349e-01 4.32 -3.341692489e-01 -3.341692489e-01 4.34 -3.175341303e-01 -3.175341303e-01 4.36 -3.012548481e-01 -3.012548481e-01 4.38 -2.853641150e-01 -2.853641150e-01 4.40 -2.698999573e-01 -2.698999573e-01 4.42 -2.549038193e-01 -2.549038193e-01 4.44 -2.404183653e-01 -2.404183653e-01 4.46 -2.264850822e-01 -2.264850822e-01 4.48 -2.131418242e-01 -2.131418242e-01 4.50 -2.004204763e-01 -2.004204763e-01 4.52 -1.883449270e-01 -1.883449270e-01 4.54 -1.769295312e-01 -1.769295312e-01 4.56 -1.661782019e-01 -1.661782019e-01 4.58 -1.560841996e-01 -1.560841996e-01 4.60 -1.466306086e-01 -1.466306086e-01 4.62 -1.377914140e-01 -1.377914140e-01 4.64 -1.295330314e-01 -1.295330314e-01 4.66 -1.218161163e-01 -1.218161163e-01 4.68 -1.145974713e-01 -1.145974713e-01 4.70 -1.078319153e-01 -1.078319153e-01 4.72 -1.014739889e-01 -1.014739889e-01 4.74 -9.547909132e-02 -9.547909132e-02 4.76 -8.980514293e-02 -8.980514293e-02 4.78 -8.441418627e-02 -8.441418627e-02 4.80 -7.927207912e-02 -7.927207912e-02 4.82 -7.434910792e-02 -7.434910792e-02 4.84 -6.962037295e-02 -6.962037295e-02 4.86 -6.506598325e-02 -6.506598325e-02 4.88 -6.067106802e-02 -6.067106802e-02 4.90 -5.642562718e-02 -5.642562718e-02 4.92 -5.232422659e-02 -5.232422659e-02 4.94 -4.836554293e-02 -4.836554293e-02 4.96 -4.455176648e-02 -4.455176648e-02 4.98 -4.088787853e-02 -4.088787853e-02 5.00 -3.738083206e-02 -3.738083206e-02 5.02 -3.403867663e-02 -3.403867663e-02 5.04 -3.086967870e-02 -3.086967870e-02 5.06 -2.788149371e-02 -2.788149371e-02 5.08 -2.508044448e-02 -2.508044448e-02 5.10 -2.247095058e-02 -2.247095058e-02 5.12 -2.005513856e-02 -2.005513856e-02 5.14 -1.783264726e-02 -1.783264726e-02 5.16 -1.580061752e-02 -1.580061752e-02 5.18 -1.395384345e-02 -1.395384345e-02 5.20 -1.228491670e-02 -1.228491670e-02 5.22 -1.078464944e-02 -1.078464944e-02 5.24 -9.442981645e-03 -9.442981645e-03 5.26 -8.248891755e-03 -8.248891755e-03 5.28 -7.190794550e-03 -7.190794550e-03 5.30 -6.256915731e-03 -6.256915731e-03 5.32 -5.435605204e-03 -5.435605204e-03 5.34 -4.715585037e-03 -4.715585037e-03 5.36 -4.086133950e-03 -4.086133950e-03 5.38 -3.537214088e-03 -3.537214088e-03 5.40 -3.059548087e-03 -3.059548087e-03 5.42 -2.644655295e-03 -2.644655295e-03 5.44 -2.284855957e-03 -2.284855957e-03 5.46 -1.973251420e-03 -1.973251420e-03 5.48 -1.703687411e-03 -1.703687411e-03 5.50 -1.470706206e-03 -1.470706206e-03 5.52 -1.269492376e-03 -1.269492376e-03 5.54 -1.095815688e-03 -1.095815688e-03 5.56 -9.459738284e-04 -9.459738284e-04 5.58 -8.167368049e-04 -8.167368049e-04 5.60 -7.052943021e-04 -7.052943021e-04 5.62 -6.092067398e-04 -6.092067398e-04 5.64 -5.263604403e-04 -5.263604403e-04 5.66 -4.549270373e-04 -4.549270373e-04 5.68 -3.933270727e-04 -3.933270727e-04 5.70 -3.401976018e-04 -3.401976018e-04 5.72 -2.943635528e-04 -2.943635528e-04 5.74 -2.548125381e-04 -2.548125381e-04 5.76 -2.206728023e-04 -2.206728023e-04 5.78 -1.911939860e-04 -1.911939860e-04 5.80 -1.657304005e-04 -1.657304005e-04 5.82 -1.437265217e-04 -1.437265217e-04 5.84 -1.247044360e-04 -1.247044360e-04 5.86 -1.082529965e-04 -1.082529965e-04 5.88 -9.401846900e-05 -9.401846900e-05 5.90 -8.169647322e-05 -8.169647322e-05 5.92 -7.102504731e-05 -7.102504731e-05 5.94 -6.177868298e-05 -6.177868298e-05 5.96 -5.376319901e-05 -5.376319901e-05 5.98 -4.681133721e-05 -4.681133721e-05 6.00 -4.077898024e-05 -4.077898024e-05