# 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 = CoPt2Zr # 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 3.805164770e+02 3.805164770e+02 1.30 3.554265685e+02 3.554265685e+02 1.32 3.320124339e+02 3.320124339e+02 1.34 3.101480812e+02 3.101480812e+02 1.36 2.897188744e+02 2.897188744e+02 1.38 2.706199062e+02 2.706199062e+02 1.40 2.527557467e+02 2.527557467e+02 1.42 2.360416212e+02 2.360416212e+02 1.44 2.204018282e+02 2.204018282e+02 1.46 2.057655146e+02 2.057655146e+02 1.48 1.920641566e+02 1.920641566e+02 1.50 1.792320402e+02 1.792320402e+02 1.52 1.672073800e+02 1.672073800e+02 1.54 1.559321432e+02 1.559321432e+02 1.56 1.453512368e+02 1.453512368e+02 1.58 1.354115355e+02 1.354115355e+02 1.60 1.260617742e+02 1.260617742e+02 1.62 1.172534024e+02 1.172534024e+02 1.64 1.089423759e+02 1.089423759e+02 1.66 1.010908022e+02 1.010908022e+02 1.68 9.366778826e+01 9.366778826e+01 1.70 8.664887348e+01 8.664887348e+01 1.72 8.001423731e+01 8.001423731e+01 1.74 7.374608587e+01 7.374608587e+01 1.76 6.782610179e+01 6.782610179e+01 1.78 6.223404642e+01 6.223404642e+01 1.80 5.694828006e+01 5.694828006e+01 1.82 5.194759392e+01 5.194759392e+01 1.84 4.721382849e+01 4.721382849e+01 1.86 4.273243444e+01 4.273243444e+01 1.88 3.850544642e+01 3.850544642e+01 1.90 3.460843685e+01 3.460843685e+01 1.92 3.103552055e+01 3.103552055e+01 1.94 2.776204332e+01 2.776204332e+01 1.96 2.476295866e+01 2.476295866e+01 1.98 2.201390141e+01 2.201390141e+01 2.00 1.949224727e+01 1.949224727e+01 2.02 1.717766401e+01 1.717766401e+01 2.04 1.505219353e+01 1.505219353e+01 2.06 1.310008436e+01 1.310008436e+01 2.08 1.130751475e+01 1.130751475e+01 2.10 9.662279253e+00 9.662279253e+00 2.12 8.153380285e+00 8.153380285e+00 2.14 6.770673119e+00 6.770673119e+00 2.16 5.504593012e+00 5.504593012e+00 2.18 4.346047619e+00 4.346047619e+00 2.20 3.286461656e+00 3.286461656e+00 2.22 2.317869408e+00 2.317869408e+00 2.24 1.432994882e+00 1.432994882e+00 2.26 6.252822295e-01 6.252822295e-01 2.28 -1.111302951e-01 -1.111302951e-01 2.30 -7.814522727e-01 -7.814522727e-01 2.32 -1.390315966e+00 -1.390315966e+00 2.34 -1.941879425e+00 -1.941879425e+00 2.36 -2.439908284e+00 -2.439908284e+00 2.38 -2.887872275e+00 -2.887872275e+00 2.40 -3.289032270e+00 -3.289032270e+00 2.42 -3.646522956e+00 -3.646522956e+00 2.44 -3.963415451e+00 -3.963415451e+00 2.46 -4.242767755e+00 -4.242767755e+00 2.48 -4.487644976e+00 -4.487644976e+00 2.50 -4.701112828e+00 -4.701112828e+00 2.52 -4.886205367e+00 -4.886205367e+00 2.54 -5.045870114e+00 -5.045870114e+00 2.56 -5.182895953e+00 -5.182895953e+00 2.58 -5.299835542e+00 -5.299835542e+00 2.60 -5.398940413e+00 -5.398940413e+00 2.62 -5.482164139e+00 -5.482164139e+00 2.64 -5.551107611e+00 -5.551107611e+00 2.66 -5.606988771e+00 -5.606988771e+00 2.68 -5.650807577e+00 -5.650807577e+00 2.70 -5.684787821e+00 -5.684787821e+00 2.72 -5.710571376e+00 -5.710571376e+00 2.74 -5.728233708e+00 -5.728233708e+00 2.76 -5.737890101e+00 -5.737890101e+00 2.78 -5.739689297e+00 -5.739689297e+00 2.80 -5.733753656e+00 -5.733753656e+00 2.82 -5.720182124e+00 -5.720182124e+00 2.84 -5.699152182e+00 -5.699152182e+00 2.86 -5.670844570e+00 -5.670844570e+00 2.88 -5.635488637e+00 -5.635488637e+00 2.90 -5.593385232e+00 -5.593385232e+00 2.92 -5.544916521e+00 -5.544916521e+00 2.94 -5.490552390e+00 -5.490552390e+00 2.96 -5.430848216e+00 -5.430848216e+00 2.98 -5.366430097e+00 -5.366430097e+00 3.00 -5.297966787e+00 -5.297966787e+00 3.02 -5.226129416e+00 -5.226129416e+00 3.04 -5.151524410e+00 -5.151524410e+00 3.06 -5.074679739e+00 -5.074679739e+00 3.08 -4.996030931e+00 -4.996030931e+00 3.10 -4.915921018e+00 -4.915921018e+00 3.12 -4.834600205e+00 -4.834600205e+00 3.14 -4.752252130e+00 -4.752252130e+00 3.16 -4.668994523e+00 -4.668994523e+00 3.18 -4.584912730e+00 -4.584912730e+00 3.20 -4.500074417e+00 -4.500074417e+00 3.22 -4.414544864e+00 -4.414544864e+00 3.24 -4.328398963e+00 -4.328398963e+00 3.26 -4.241729724e+00 -4.241729724e+00 3.28 -4.154652893e+00 -4.154652893e+00 3.30 -4.067307083e+00 -4.067307083e+00 3.32 -3.979849274e+00 -3.979849274e+00 3.34 -3.892446446e+00 -3.892446446e+00 3.36 -3.805265219e+00 -3.805265219e+00 3.38 -3.718461915e+00 -3.718461915e+00 3.40 -3.632174330e+00 -3.632174330e+00 3.42 -3.546521656e+00 -3.546521656e+00 3.44 -3.461598529e+00 -3.461598529e+00 3.46 -3.377481393e+00 -3.377481393e+00 3.48 -3.294230771e+00 -3.294230771e+00 3.50 -3.211894607e+00 -3.211894607e+00 3.52 -3.130510886e+00 -3.130510886e+00 3.54 -3.050109302e+00 -3.050109302e+00 3.56 -2.970712058e+00 -2.970712058e+00 3.58 -2.892334055e+00 -2.892334055e+00 3.60 -2.814985546e+00 -2.814985546e+00 3.62 -2.738719779e+00 -2.738719779e+00 3.64 -2.663617073e+00 -2.663617073e+00 3.66 -2.589735625e+00 -2.589735625e+00 3.68 -2.517112896e+00 -2.517112896e+00 3.70 -2.445768969e+00 -2.445768969e+00 3.72 -2.375710137e+00 -2.375710137e+00 3.74 -2.306932684e+00 -2.306932684e+00 3.76 -2.239426747e+00 -2.239426747e+00 3.78 -2.173180074e+00 -2.173180074e+00 3.80 -2.108181374e+00 -2.108181374e+00 3.82 -2.044422959e+00 -2.044422959e+00 3.84 -1.981902341e+00 -1.981902341e+00 3.86 -1.920622584e+00 -1.920622584e+00 3.88 -1.860591375e+00 -1.860591375e+00 3.90 -1.801819025e+00 -1.801819025e+00 3.92 -1.744314694e+00 -1.744314694e+00 3.94 -1.688088740e+00 -1.688088740e+00 3.96 -1.633142952e+00 -1.633142952e+00 3.98 -1.579475180e+00 -1.579475180e+00 4.00 -1.527078263e+00 -1.527078263e+00 4.02 -1.475941584e+00 -1.475941584e+00 4.04 -1.426053457e+00 -1.426053457e+00 4.06 -1.377403872e+00 -1.377403872e+00 4.08 -1.329987127e+00 -1.329987127e+00 4.10 -1.283800522e+00 -1.283800522e+00 4.12 -1.238859700e+00 -1.238859700e+00 4.14 -1.195176222e+00 -1.195176222e+00 4.16 -1.152772357e+00 -1.152772357e+00 4.18 -1.111674569e+00 -1.111674569e+00 4.20 -1.071910402e+00 -1.071910402e+00 4.22 -1.033504842e+00 -1.033504842e+00 4.24 -9.964766146e-01 -9.964766146e-01 4.26 -9.608348411e-01 -9.608348411e-01 4.28 -9.265764320e-01 -9.265764320e-01 4.30 -8.936844562e-01 -8.936844562e-01 4.32 -8.621275681e-01 -8.621275681e-01 4.34 -8.318604347e-01 -8.318604347e-01 4.36 -8.028249979e-01 -8.028249979e-01 4.38 -7.749523428e-01 -7.749523428e-01 4.40 -7.481649291e-01 -7.481649291e-01 4.42 -7.223789556e-01 -7.223789556e-01 4.44 -6.975066672e-01 -6.975066672e-01 4.46 -6.734584675e-01 -6.734584675e-01 4.48 -6.501447569e-01 -6.501447569e-01 4.50 -6.274774720e-01 -6.274774720e-01 4.52 -6.053713512e-01 -6.053713512e-01 4.54 -5.837449871e-01 -5.837449871e-01 4.56 -5.625217453e-01 -5.625217453e-01 4.58 -5.416306389e-01 -5.416306389e-01 4.60 -5.210072382e-01 -5.210072382e-01 4.62 -5.005946763e-01 -5.005946763e-01 4.64 -4.803447880e-01 -4.803447880e-01 4.66 -4.602193762e-01 -4.602193762e-01 4.68 -4.401915670e-01 -4.401915670e-01 4.70 -4.202471639e-01 -4.202471639e-01 4.72 -4.003858725e-01 -4.003858725e-01 4.74 -3.806222308e-01 -3.806222308e-01 4.76 -3.609860593e-01 -3.609860593e-01 4.78 -3.415222468e-01 -3.415222468e-01 4.80 -3.222866701e-01 -3.222866701e-01 4.82 -3.033569852e-01 -3.033569852e-01 4.84 -2.848098635e-01 -2.848098635e-01 4.86 -2.667313248e-01 -2.667313248e-01 4.88 -2.492089125e-01 -2.492089125e-01 4.90 -2.323273053e-01 -2.323273053e-01 4.92 -2.161640637e-01 -2.161640637e-01 4.94 -2.007858719e-01 -2.007858719e-01 4.96 -1.862455834e-01 -1.862455834e-01 4.98 -1.725802778e-01 -1.725802778e-01 5.00 -1.598104115e-01 -1.598104115e-01 5.02 -1.479400264e-01 -1.479400264e-01 5.04 -1.369578724e-01 -1.369578724e-01 5.06 -1.268392322e-01 -1.268392322e-01 5.08 -1.175482048e-01 -1.175482048e-01 5.10 -1.090402070e-01 -1.090402070e-01 5.12 -1.012644816e-01 -1.012644816e-01 5.14 -9.416645038e-02 -9.416645038e-02 5.16 -8.768979944e-02 -8.768979944e-02 5.18 -8.177823653e-02 -8.177823653e-02 5.20 -7.637689935e-02 -7.637689935e-02 5.22 -7.143343169e-02 -7.143343169e-02 5.24 -6.689875685e-02 -6.689875685e-02 5.26 -6.272753076e-02 -6.272753076e-02 5.28 -5.887837370e-02 -5.887837370e-02 5.30 -5.531452318e-02 -5.531452318e-02 5.32 -5.200341185e-02 -5.200341185e-02 5.34 -4.891657114e-02 -4.891657114e-02 5.36 -4.602950188e-02 -4.602950188e-02 5.38 -4.332147091e-02 -4.332147091e-02 5.40 -4.077524653e-02 -4.077524653e-02 5.42 -3.837678117e-02 -3.837678117e-02 5.44 -3.611484737e-02 -3.611484737e-02 5.46 -3.398063463e-02 -3.398063463e-02 5.48 -3.196731784e-02 -3.196731784e-02 5.50 -3.006961188e-02 -3.006961188e-02 5.52 -2.828333133e-02 -2.828333133e-02 5.54 -2.660497710e-02 -2.660497710e-02 5.56 -2.503136999e-02 -2.503136999e-02 5.58 -2.355934867e-02 -2.355934867e-02 5.60 -2.218553939e-02 -2.218553939e-02 5.62 -2.090610327e-02 -2.090610327e-02 5.64 -1.971691924e-02 -1.971691924e-02 5.66 -1.861348999e-02 -1.861348999e-02 5.68 -1.759091388e-02 -1.759091388e-02 5.70 -1.664397888e-02 -1.664397888e-02 5.72 -1.576727506e-02 -1.576727506e-02 5.74 -1.495531143e-02 -1.495531143e-02 5.76 -1.420262593e-02 -1.420262593e-02 5.78 -1.350388153e-02 -1.350388153e-02 5.80 -1.285394408e-02 -1.285394408e-02 5.82 -1.224794087e-02 -1.224794087e-02 5.84 -1.168130055e-02 -1.168130055e-02 5.86 -1.114977658e-02 -1.114977658e-02 5.88 -1.064945700e-02 -1.064945700e-02 5.90 -1.017676355e-02 -1.017676355e-02 5.92 -9.728443198e-03 -9.728443198e-03 5.94 -9.301554671e-03 -9.301554671e-03 5.96 -8.893452271e-03 -8.893452271e-03 5.98 -8.501768878e-03 -8.501768878e-03 6.00 -8.124399477e-03 -8.124399477e-03