# 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 = CoFeTa2 # 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 2.645925952e+02 2.645925952e+02 1.30 2.436091172e+02 2.436091172e+02 1.32 2.242592936e+02 2.242592936e+02 1.34 2.064027677e+02 2.064027677e+02 1.36 1.899154079e+02 1.899154079e+02 1.38 1.746871379e+02 1.746871379e+02 1.40 1.606196961e+02 1.606196961e+02 1.42 1.476246872e+02 1.476246872e+02 1.44 1.356216863e+02 1.356216863e+02 1.46 1.245364060e+02 1.245364060e+02 1.48 1.142991012e+02 1.142991012e+02 1.50 1.048433660e+02 1.048433660e+02 1.52 9.610563711e+01 9.610563711e+01 1.54 8.802568586e+01 8.802568586e+01 1.56 8.054782465e+01 8.054782465e+01 1.58 7.362202188e+01 7.362202188e+01 1.60 6.720424423e+01 6.720424423e+01 1.62 6.125594359e+01 6.125594359e+01 1.64 5.574307058e+01 5.574307058e+01 1.66 5.063505086e+01 5.063505086e+01 1.68 4.590396414e+01 4.590396414e+01 1.70 4.152396001e+01 4.152396001e+01 1.72 3.747085209e+01 3.747085209e+01 1.74 3.372184910e+01 3.372184910e+01 1.76 3.025542521e+01 3.025542521e+01 1.78 2.705132468e+01 2.705132468e+01 1.80 2.409064035e+01 2.409064035e+01 1.82 2.136010180e+01 2.136010180e+01 1.84 1.885005848e+01 1.885005848e+01 1.86 1.654487707e+01 1.654487707e+01 1.88 1.442995894e+01 1.442995894e+01 1.90 1.249206150e+01 1.249206150e+01 1.92 1.071825899e+01 1.071825899e+01 1.94 9.095747322e+00 9.095747322e+00 1.96 7.611986978e+00 7.611986978e+00 1.98 6.254739479e+00 6.254739479e+00 2.00 5.012246938e+00 5.012246938e+00 2.02 3.873516883e+00 3.873516883e+00 2.04 2.828629365e+00 2.828629365e+00 2.06 1.868961502e+00 1.868961502e+00 2.08 9.872531847e-01 9.872531847e-01 2.10 1.775031683e-01 1.775031683e-01 2.12 -5.652541365e-01 -5.652541365e-01 2.14 -1.245214875e+00 -1.245214875e+00 2.16 -1.866050018e+00 -1.866050018e+00 2.18 -2.431094010e+00 -2.431094010e+00 2.20 -2.943474864e+00 -2.943474864e+00 2.22 -3.406200571e+00 -3.406200571e+00 2.24 -3.822219753e+00 -3.822219753e+00 2.26 -4.194468339e+00 -4.194468339e+00 2.28 -4.525905496e+00 -4.525905496e+00 2.30 -4.819535197e+00 -4.819535197e+00 2.32 -5.078406500e+00 -5.078406500e+00 2.34 -5.305586584e+00 -5.305586584e+00 2.36 -5.504106082e+00 -5.504106082e+00 2.38 -5.676884408e+00 -5.676884408e+00 2.40 -5.826650123e+00 -5.826650123e+00 2.42 -5.955873992e+00 -5.955873992e+00 2.44 -6.066728746e+00 -6.066728746e+00 2.46 -6.160964940e+00 -6.160964940e+00 2.48 -6.240046482e+00 -6.240046482e+00 2.50 -6.305626846e+00 -6.305626846e+00 2.52 -6.359099572e+00 -6.359099572e+00 2.54 -6.401644977e+00 -6.401644977e+00 2.56 -6.434290602e+00 -6.434290602e+00 2.58 -6.457955573e+00 -6.457955573e+00 2.60 -6.473406968e+00 -6.473406968e+00 2.62 -6.480914357e+00 -6.480914357e+00 2.64 -6.480640471e+00 -6.480640471e+00 2.66 -6.472822202e+00 -6.472822202e+00 2.68 -6.457729174e+00 -6.457729174e+00 2.70 -6.435635802e+00 -6.435635802e+00 2.72 -6.406805272e+00 -6.406805272e+00 2.74 -6.371481911e+00 -6.371481911e+00 2.76 -6.329888806e+00 -6.329888806e+00 2.78 -6.282253217e+00 -6.282253217e+00 2.80 -6.228774535e+00 -6.228774535e+00 2.82 -6.169583822e+00 -6.169583822e+00 2.84 -6.104813697e+00 -6.104813697e+00 2.86 -6.034604341e+00 -6.034604341e+00 2.88 -5.959108055e+00 -5.959108055e+00 2.90 -5.878492648e+00 -5.878492648e+00 2.92 -5.792943079e+00 -5.792943079e+00 2.94 -5.702658414e+00 -5.702658414e+00 2.96 -5.607813204e+00 -5.607813204e+00 2.98 -5.508572713e+00 -5.508572713e+00 3.00 -5.405122809e+00 -5.405122809e+00 3.02 -5.297657364e+00 -5.297657364e+00 3.04 -5.186376251e+00 -5.186376251e+00 3.06 -5.071479446e+00 -5.071479446e+00 3.08 -4.953163929e+00 -4.953163929e+00 3.10 -4.831624970e+00 -4.831624970e+00 3.12 -4.707062709e+00 -4.707062709e+00 3.14 -4.579694088e+00 -4.579694088e+00 3.16 -4.449766389e+00 -4.449766389e+00 3.18 -4.317524046e+00 -4.317524046e+00 3.20 -4.183241697e+00 -4.183241697e+00 3.22 -4.047293289e+00 -4.047293289e+00 3.24 -3.910159592e+00 -3.910159592e+00 3.26 -3.772424558e+00 -3.772424558e+00 3.28 -3.634761153e+00 -3.634761153e+00 3.30 -3.497906405e+00 -3.497906405e+00 3.32 -3.362627054e+00 -3.362627054e+00 3.34 -3.229678890e+00 -3.229678890e+00 3.36 -3.099764104e+00 -3.099764104e+00 3.38 -2.973491544e+00 -2.973491544e+00 3.40 -2.851344410e+00 -2.851344410e+00 3.42 -2.733658695e+00 -2.733658695e+00 3.44 -2.620613987e+00 -2.620613987e+00 3.46 -2.512236376e+00 -2.512236376e+00 3.48 -2.408411709e+00 -2.408411709e+00 3.50 -2.308906472e+00 -2.308906472e+00 3.52 -2.213393268e+00 -2.213393268e+00 3.54 -2.121478097e+00 -2.121478097e+00 3.56 -2.032727256e+00 -2.032727256e+00 3.58 -1.946692372e+00 -1.946692372e+00 3.60 -1.862932794e+00 -1.862932794e+00 3.62 -1.781035078e+00 -1.781035078e+00 3.64 -1.700629618e+00 -1.700629618e+00 3.66 -1.621404585e+00 -1.621404585e+00 3.68 -1.543117267e+00 -1.543117267e+00 3.70 -1.465602751e+00 -1.465602751e+00 3.72 -1.388779684e+00 -1.388779684e+00 3.74 -1.312652692e+00 -1.312652692e+00 3.76 -1.237310953e+00 -1.237310953e+00 3.78 -1.162922551e+00 -1.162922551e+00 3.80 -1.089724428e+00 -1.089724428e+00 3.82 -1.018008180e+00 -1.018008180e+00 3.84 -9.481023730e-01 -9.481023730e-01 3.86 -8.803525556e-01 -8.803525556e-01 3.88 -8.151004616e-01 -8.151004616e-01 3.90 -7.526640931e-01 -7.526640931e-01 3.92 -6.933202922e-01 -6.933202922e-01 3.94 -6.372911180e-01 -6.372911180e-01 3.96 -5.847348629e-01 -5.847348629e-01 3.98 -5.357419953e-01 -5.357419953e-01 4.00 -4.903357661e-01 -4.903357661e-01 4.02 -4.484767895e-01 -4.484767895e-01 4.04 -4.100706282e-01 -4.100706282e-01 4.06 -3.749773100e-01 -3.749773100e-01 4.08 -3.430217427e-01 -3.430217427e-01 4.10 -3.140041482e-01 -3.140041482e-01 4.12 -2.877098440e-01 -2.877098440e-01 4.14 -2.639179116e-01 -2.639179116e-01 4.16 -2.424085030e-01 -2.424085030e-01 4.18 -2.229686791e-01 -2.229686791e-01 4.20 -2.053967930e-01 -2.053967930e-01 4.22 -1.895054981e-01 -1.895054981e-01 4.24 -1.751235027e-01 -1.751235027e-01 4.26 -1.620962181e-01 -1.620962181e-01 4.28 -1.502854720e-01 -1.502854720e-01 4.30 -1.395684818e-01 -1.395684818e-01 4.32 -1.298363115e-01 -1.298363115e-01 4.34 -1.209920484e-01 -1.209920484e-01 4.36 -1.129489301e-01 -1.129489301e-01 4.38 -1.056286176e-01 -1.056286176e-01 4.40 -9.895975310e-02 -9.895975310e-02 4.42 -9.287686425e-02 -9.287686425e-02 4.44 -8.731956977e-02 -8.731956977e-02 4.46 -8.223201897e-02 -8.223201897e-02 4.48 -7.756297942e-02 -7.756297942e-02 4.50 -7.326517388e-02 -7.326517388e-02 4.52 -6.929530396e-02 -6.929530396e-02 4.54 -6.561451492e-02 -6.561451492e-02 4.56 -6.218747310e-02 -6.218747310e-02 4.58 -5.898221856e-02 -5.898221856e-02 4.60 -5.596998079e-02 -5.596998079e-02 4.62 -5.312495197e-02 -5.312495197e-02 4.64 -5.042405017e-02 -5.042405017e-02 4.66 -4.784669411e-02 -4.784669411e-02 4.68 -4.537460753e-02 -4.537460753e-02 4.70 -4.299166686e-02 -4.299166686e-02 4.72 -4.068380086e-02 -4.068380086e-02 4.74 -3.843894552e-02 -3.843894552e-02 4.76 -3.624705251e-02 -3.624705251e-02 4.78 -3.410014380e-02 -3.410014380e-02 4.80 -3.199240002e-02 -3.199240002e-02 4.82 -2.992025649e-02 -2.992025649e-02 4.84 -2.788248154e-02 -2.788248154e-02 4.86 -2.588020639e-02 -2.588020639e-02 4.88 -2.391686897e-02 -2.391686897e-02 4.90 -2.199804162e-02 -2.199804162e-02 4.92 -2.013112154e-02 -2.013112154e-02 4.94 -1.832487957e-02 -1.832487957e-02 4.96 -1.658871393e-02 -1.658871393e-02 4.98 -1.493223221e-02 -1.493223221e-02 5.00 -1.336472791e-02 -1.336472791e-02 5.02 -1.189427790e-02 -1.189427790e-02 5.04 -1.052720543e-02 -1.052720543e-02 5.06 -9.267706131e-03 -9.267706131e-03 5.08 -8.117664863e-03 -8.117664863e-03 5.10 -7.076664069e-03 -7.076664069e-03 5.12 -6.142159923e-03 -6.142159923e-03 5.14 -5.309785005e-03 -5.309785005e-03 5.16 -4.573728276e-03 -4.573728276e-03 5.18 -3.927144092e-03 -3.927144092e-03 5.20 -3.362549557e-03 -3.362549557e-03 5.22 -2.872180730e-03 -2.872180730e-03 5.24 -2.448290117e-03 -2.448290117e-03 5.26 -2.083378457e-03 -2.083378457e-03 5.28 -1.770361925e-03 -1.770361925e-03 5.30 -1.502681234e-03 -1.502681234e-03 5.32 -1.274361970e-03 -1.274361970e-03 5.34 -1.080036422e-03 -1.080036422e-03 5.36 -9.149367827e-04 -9.149367827e-04 5.38 -7.748684157e-04 -7.748684157e-04 5.40 -6.561703864e-04 -6.561703864e-04 5.42 -5.556688980e-04 -5.556688980e-04 5.44 -4.706278273e-04 -4.706278273e-04 5.46 -3.986993368e-04 -3.986993368e-04 5.48 -3.378765433e-04 -3.378765433e-04 5.50 -2.864494628e-04 -2.864494628e-04 5.52 -2.429648814e-04 -2.429648814e-04 5.54 -2.061904081e-04 -2.061904081e-04 5.56 -1.750826862e-04 -1.750826862e-04 5.58 -1.487595724e-04 -1.487595724e-04 5.60 -1.264759891e-04 -1.264759891e-04 5.62 -1.076031040e-04 -1.076031040e-04 5.64 -9.161047579e-05 -9.161047579e-05 5.66 -7.805081047e-05 -7.805081047e-05 5.68 -6.654699275e-05 -6.654699275e-05 5.70 -5.678108497e-05 -5.678108497e-05 5.72 -4.848501651e-05 -4.848501651e-05 5.74 -4.143271839e-05 -4.143271839e-05 5.76 -3.543348842e-05 -3.543348842e-05 5.78 -3.032640061e-05 -3.032640061e-05 5.80 -2.597559850e-05 -2.597559850e-05 5.82 -2.226633497e-05 -2.226633497e-05 5.84 -1.910164150e-05 -1.910164150e-05 5.86 -1.639952738e-05 -1.639952738e-05 5.88 -1.409062486e-05 -1.409062486e-05 5.90 -1.211620916e-05 -1.211620916e-05 5.92 -1.042653325e-05 -1.042653325e-05 5.94 -8.979427250e-06 -8.979427250e-06 5.96 -7.739119841e-06 -7.739119841e-06 5.98 -6.675246274e-06 -6.675246274e-06 6.00 -5.762012944e-06 -5.762012944e-06