# 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 = CoFe2Ti # 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 1.905110432e+02 1.905110432e+02 1.30 1.742066180e+02 1.742066180e+02 1.32 1.592498303e+02 1.592498303e+02 1.34 1.455193327e+02 1.455193327e+02 1.36 1.329079268e+02 1.329079268e+02 1.38 1.213213032e+02 1.213213032e+02 1.40 1.106756634e+02 1.106756634e+02 1.42 1.008954414e+02 1.008954414e+02 1.44 9.191187026e+01 9.191187026e+01 1.46 8.366232568e+01 8.366232568e+01 1.48 7.608987959e+01 7.608987959e+01 1.50 6.914259269e+01 6.914259269e+01 1.52 6.277248106e+01 6.277248106e+01 1.54 5.693453352e+01 5.693453352e+01 1.56 5.158621139e+01 5.158621139e+01 1.58 4.668741734e+01 4.668741734e+01 1.60 4.220060517e+01 4.220060517e+01 1.62 3.809082188e+01 3.809082188e+01 1.64 3.432566296e+01 3.432566296e+01 1.66 3.087517793e+01 3.087517793e+01 1.68 2.771185921e+01 2.771185921e+01 1.70 2.481073195e+01 2.481073195e+01 1.72 2.214986134e+01 2.214986134e+01 1.74 1.970890826e+01 1.970890826e+01 1.76 1.746963848e+01 1.746963848e+01 1.78 1.541583282e+01 1.541583282e+01 1.80 1.353302146e+01 1.353302146e+01 1.82 1.180821649e+01 1.180821649e+01 1.84 1.022964938e+01 1.022964938e+01 1.86 8.786518772e+00 8.786518772e+00 1.88 7.468760893e+00 7.468760893e+00 1.90 6.266858648e+00 6.266858648e+00 1.92 5.171705841e+00 5.171705841e+00 1.94 4.174546977e+00 4.174546977e+00 1.96 3.267000074e+00 3.267000074e+00 1.98 2.441139235e+00 2.441139235e+00 2.00 1.689588224e+00 1.689588224e+00 2.02 1.005585484e+00 1.005585484e+00 2.04 3.830107074e-01 3.830107074e-01 2.06 -1.836161717e-01 -1.836161717e-01 2.08 -6.991522648e-01 -6.991522648e-01 2.10 -1.167865990e+00 -1.167865990e+00 2.12 -1.593496196e+00 -1.593496196e+00 2.14 -1.979336055e+00 -1.979336055e+00 2.16 -2.328327250e+00 -2.328327250e+00 2.18 -2.643146538e+00 -2.643146538e+00 2.20 -2.926274047e+00 -2.926274047e+00 2.22 -3.180042563e+00 -3.180042563e+00 2.24 -3.406669349e+00 -3.406669349e+00 2.26 -3.608271091e+00 -3.608271091e+00 2.28 -3.786862781e+00 -3.786862781e+00 2.30 -3.944343946e+00 -3.944343946e+00 2.32 -4.082480266e+00 -4.082480266e+00 2.34 -4.202886877e+00 -4.202886877e+00 2.36 -4.307020760e+00 -4.307020760e+00 2.38 -4.396184987e+00 -4.396184987e+00 2.40 -4.471545058e+00 -4.471545058e+00 2.42 -4.534163828e+00 -4.534163828e+00 2.44 -4.585068608e+00 -4.585068608e+00 2.46 -4.625098133e+00 -4.625098133e+00 2.48 -4.655083549e+00 -4.655083549e+00 2.50 -4.675755500e+00 -4.675755500e+00 2.52 -4.687823894e+00 -4.687823894e+00 2.54 -4.692000747e+00 -4.692000747e+00 2.56 -4.688979717e+00 -4.688979717e+00 2.58 -4.679312764e+00 -4.679312764e+00 2.60 -4.663481935e+00 -4.663481935e+00 2.62 -4.641954993e+00 -4.641954993e+00 2.64 -4.615122408e+00 -4.615122408e+00 2.66 -4.583331975e+00 -4.583331975e+00 2.68 -4.546905659e+00 -4.546905659e+00 2.70 -4.506145949e+00 -4.506145949e+00 2.72 -4.461338286e+00 -4.461338286e+00 2.74 -4.412756143e+00 -4.412756143e+00 2.76 -4.360666088e+00 -4.360666088e+00 2.78 -4.305306569e+00 -4.305306569e+00 2.80 -4.246662213e+00 -4.246662213e+00 2.82 -4.184626635e+00 -4.184626635e+00 2.84 -4.119177777e+00 -4.119177777e+00 2.86 -4.050372339e+00 -4.050372339e+00 2.88 -3.978336028e+00 -3.978336028e+00 2.90 -3.903251832e+00 -3.903251832e+00 2.92 -3.825346875e+00 -3.825346875e+00 2.94 -3.744879359e+00 -3.744879359e+00 2.96 -3.662127315e+00 -3.662127315e+00 2.98 -3.577380304e+00 -3.577380304e+00 3.00 -3.490933804e+00 -3.490933804e+00 3.02 -3.403084637e+00 -3.403084637e+00 3.04 -3.314125336e+00 -3.314125336e+00 3.06 -3.224336753e+00 -3.224336753e+00 3.08 -3.133979269e+00 -3.133979269e+00 3.10 -3.043286416e+00 -3.043286416e+00 3.12 -2.952463148e+00 -2.952463148e+00 3.14 -2.861690873e+00 -2.861690873e+00 3.16 -2.771137700e+00 -2.771137700e+00 3.18 -2.680972144e+00 -2.680972144e+00 3.20 -2.591376151e+00 -2.591376151e+00 3.22 -2.502554801e+00 -2.502554801e+00 3.24 -2.414740683e+00 -2.414740683e+00 3.26 -2.328192225e+00 -2.328192225e+00 3.28 -2.243186291e+00 -2.243186291e+00 3.30 -2.160006238e+00 -2.160006238e+00 3.32 -2.078927247e+00 -2.078927247e+00 3.34 -2.000201055e+00 -2.000201055e+00 3.36 -1.924042251e+00 -1.924042251e+00 3.38 -1.850617914e+00 -1.850617914e+00 3.40 -1.780041752e+00 -1.780041752e+00 3.42 -1.712373261e+00 -1.712373261e+00 3.44 -1.647621248e+00 -1.647621248e+00 3.46 -1.585751109e+00 -1.585751109e+00 3.48 -1.526694196e+00 -1.526694196e+00 3.50 -1.470357825e+00 -1.470357825e+00 3.52 -1.416634507e+00 -1.416634507e+00 3.54 -1.365409306e+00 -1.365409306e+00 3.56 -1.316564742e+00 -1.316564742e+00 3.58 -1.269983300e+00 -1.269983300e+00 3.60 -1.225548084e+00 -1.225548084e+00 3.62 -1.183142527e+00 -1.183142527e+00 3.64 -1.142650040e+00 -1.142650040e+00 3.66 -1.103954218e+00 -1.103954218e+00 3.68 -1.066939805e+00 -1.066939805e+00 3.70 -1.031494265e+00 -1.031494265e+00 3.72 -9.975095804e-01 -9.975095804e-01 3.74 -9.648839057e-01 -9.648839057e-01 3.76 -9.335228145e-01 -9.335228145e-01 3.78 -9.033400064e-01 -9.033400064e-01 3.80 -8.742574953e-01 -8.742574953e-01 3.82 -8.462053683e-01 -8.462053683e-01 3.84 -8.191212392e-01 -8.191212392e-01 3.86 -7.929495192e-01 -7.929495192e-01 3.88 -7.676406067e-01 -7.676406067e-01 3.90 -7.431500697e-01 -7.431500697e-01 3.92 -7.194378505e-01 -7.194378505e-01 3.94 -6.964676562e-01 -6.964676562e-01 3.96 -6.742062055e-01 -6.742062055e-01 3.98 -6.526228159e-01 -6.526228159e-01 4.00 -6.316889605e-01 -6.316889605e-01 4.02 -6.113779485e-01 -6.113779485e-01 4.04 -5.916647000e-01 -5.916647000e-01 4.06 -5.725256124e-01 -5.725256124e-01 4.08 -5.539385169e-01 -5.539385169e-01 4.10 -5.358826449e-01 -5.358826449e-01 4.12 -5.183390646e-01 -5.183390646e-01 4.14 -5.012903656e-01 -5.012903656e-01 4.16 -4.847212344e-01 -4.847212344e-01 4.18 -4.686185906e-01 -4.686185906e-01 4.20 -4.529717718e-01 -4.529717718e-01 4.22 -4.377726194e-01 -4.377726194e-01 4.24 -4.230154041e-01 -4.230154041e-01 4.26 -4.086965450e-01 -4.086965450e-01 4.28 -3.948141031e-01 -3.948141031e-01 4.30 -3.813670694e-01 -3.813670694e-01 4.32 -3.683545141e-01 -3.683545141e-01 4.34 -3.557746982e-01 -3.557746982e-01 4.36 -3.436241601e-01 -3.436241601e-01 4.38 -3.318971758e-01 -3.318971758e-01 4.40 -3.205857950e-01 -3.205857950e-01 4.42 -3.096793885e-01 -3.096793885e-01 4.44 -2.991648515e-01 -2.991648515e-01 4.46 -2.890270134e-01 -2.890270134e-01 4.48 -2.792491526e-01 -2.792491526e-01 4.50 -2.698135311e-01 -2.698135311e-01 4.52 -2.607018878e-01 -2.607018878e-01 4.54 -2.518958501e-01 -2.518958501e-01 4.56 -2.433772504e-01 -2.433772504e-01 4.58 -2.351283486e-01 -2.351283486e-01 4.60 -2.271319768e-01 -2.271319768e-01 4.62 -2.193716259e-01 -2.193716259e-01 4.64 -2.118314979e-01 -2.118314979e-01 4.66 -2.044965432e-01 -2.044965432e-01 4.68 -1.973525043e-01 -1.973525043e-01 4.70 -1.903859794e-01 -1.903859794e-01 4.72 -1.835845188e-01 -1.835845188e-01 4.74 -1.769367611e-01 -1.769367611e-01 4.76 -1.704326127e-01 -1.704326127e-01 4.78 -1.640634656e-01 -1.640634656e-01 4.80 -1.578224037e-01 -1.578224037e-01 4.82 -1.517046357e-01 -1.517046357e-01 4.84 -1.457074640e-01 -1.457074640e-01 4.86 -1.398306689e-01 -1.398306689e-01 4.88 -1.340765637e-01 -1.340765637e-01 4.90 -1.284499727e-01 -1.284499727e-01 4.92 -1.229580513e-01 -1.229580513e-01 4.94 -1.176099305e-01 -1.176099305e-01 4.96 -1.124161864e-01 -1.124161864e-01 4.98 -1.073881648e-01 -1.073881648e-01 5.00 -1.025372086e-01 -1.025372086e-01 5.02 -9.787385753e-02 -9.787385753e-02 5.04 -9.340709548e-02 -9.340709548e-02 5.06 -8.914371765e-02 -8.914371765e-02 5.08 -8.508783476e-02 -8.508783476e-02 5.10 -8.124061071e-02 -8.124061071e-02 5.12 -7.760043193e-02 -7.760043193e-02 5.14 -7.416290129e-02 -7.416290129e-02 5.16 -7.092114076e-02 -7.092114076e-02 5.18 -6.786621451e-02 -6.786621451e-02 5.20 -6.498760736e-02 -6.498760736e-02 5.22 -6.227371084e-02 -6.227371084e-02 5.24 -5.971227885e-02 -5.971227885e-02 5.26 -5.729082663e-02 -5.729082663e-02 5.28 -5.499695858e-02 -5.499695858e-02 5.30 -5.281862045e-02 -5.281862045e-02 5.32 -5.074427965e-02 -5.074427965e-02 5.34 -4.876304199e-02 -4.876304199e-02 5.36 -4.686471650e-02 -4.686471650e-02 5.38 -4.503984047e-02 -4.503984047e-02 5.40 -4.327967671e-02 -4.327967671e-02 5.42 -4.157619370e-02 -4.157619370e-02 5.44 -3.992203787e-02 -3.992203787e-02 5.46 -3.831050555e-02 -3.831050555e-02 5.48 -3.673552029e-02 -3.673552029e-02 5.50 -3.519162024e-02 -3.519162024e-02 5.52 -3.367395811e-02 -3.367395811e-02 5.54 -3.217831596e-02 -3.217831596e-02 5.56 -3.070113344e-02 -3.070113344e-02 5.58 -2.923954963e-02 -2.923954963e-02 5.60 -2.779145526e-02 -2.779145526e-02 5.62 -2.635554990e-02 -2.635554990e-02 5.64 -2.493139788e-02 -2.493139788e-02 5.66 -2.351947497e-02 -2.351947497e-02 5.68 -2.212119628e-02 -2.212119628e-02 5.70 -2.073891601e-02 -2.073891601e-02 5.72 -1.937588963e-02 -1.937588963e-02 5.74 -1.803619170e-02 -1.803619170e-02 5.76 -1.672458216e-02 -1.672458216e-02 5.78 -1.544609185e-02 -1.544609185e-02 5.80 -1.420622795e-02 -1.420622795e-02 5.82 -1.301072239e-02 -1.301072239e-02 5.84 -1.186507641e-02 -1.186507641e-02 5.86 -1.077430509e-02 -1.077430509e-02 5.88 -9.742709509e-03 -9.742709509e-03 5.90 -8.773693912e-03 -8.773693912e-03 5.92 -7.869640537e-03 -7.869640537e-03 5.94 -7.031848540e-03 -7.031848540e-03 5.96 -6.260536565e-03 -6.260536565e-03 5.98 -5.554902522e-03 -5.554902522e-03 6.00 -4.913229538e-03 -4.913229538e-03