# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi2Pt # 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 2022-05-24 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 5.294044045e+02 5.294044045e+02 0.98 4.831276174e+02 4.831276174e+02 1.00 4.410072616e+02 4.410072616e+02 1.02 4.026371950e+02 4.026371950e+02 1.04 3.676692193e+02 3.676692193e+02 1.06 3.357901482e+02 3.357901482e+02 1.08 3.067142808e+02 3.067142808e+02 1.10 2.801884134e+02 2.801884134e+02 1.12 2.559805418e+02 2.559805418e+02 1.14 2.338792594e+02 2.338792594e+02 1.16 2.137058295e+02 2.137058295e+02 1.18 1.952894110e+02 1.952894110e+02 1.20 1.784785270e+02 1.784785270e+02 1.22 1.631253399e+02 1.631253399e+02 1.24 1.491090563e+02 1.491090563e+02 1.26 1.363101311e+02 1.363101311e+02 1.28 1.246199899e+02 1.246199899e+02 1.30 1.139415684e+02 1.139415684e+02 1.32 1.041848551e+02 1.041848551e+02 1.34 9.526800335e+01 9.526800335e+01 1.36 8.711899514e+01 8.711899514e+01 1.38 7.966872454e+01 7.966872454e+01 1.40 7.285328826e+01 7.285328826e+01 1.42 6.661653655e+01 6.661653655e+01 1.44 6.090977539e+01 6.090977539e+01 1.46 5.568406108e+01 5.568406108e+01 1.48 5.089641757e+01 5.089641757e+01 1.50 4.650988186e+01 4.650988186e+01 1.52 4.248945668e+01 4.248945668e+01 1.54 3.880212932e+01 3.880212932e+01 1.56 3.541866225e+01 3.541866225e+01 1.58 3.231273027e+01 3.231273027e+01 1.60 2.946101730e+01 2.946101730e+01 1.62 2.684062976e+01 2.684062976e+01 1.64 2.443251083e+01 2.443251083e+01 1.66 2.221738686e+01 2.221738686e+01 1.68 2.017904156e+01 2.017904156e+01 1.70 1.830335541e+01 1.830335541e+01 1.72 1.657516142e+01 1.657516142e+01 1.74 1.498429749e+01 1.498429749e+01 1.76 1.351882107e+01 1.351882107e+01 1.78 1.216876022e+01 1.216876022e+01 1.80 1.092727272e+01 1.092727272e+01 1.82 9.772464330e+00 9.772464330e+00 1.84 8.669129321e+00 8.669129321e+00 1.86 7.657333180e+00 7.657333180e+00 1.88 6.695297356e+00 6.695297356e+00 1.90 5.783998005e+00 5.783998005e+00 1.92 4.921923246e+00 4.921923246e+00 1.94 4.108065613e+00 4.108065613e+00 1.96 3.341337514e+00 3.341337514e+00 1.98 2.619750382e+00 2.619750382e+00 2.00 1.942513270e+00 1.942513270e+00 2.02 1.308696298e+00 1.308696298e+00 2.04 7.168881992e-01 7.168881992e-01 2.06 1.655177067e-01 1.655177067e-01 2.08 -3.469672648e-01 -3.469672648e-01 2.10 -8.214132209e-01 -8.214132209e-01 2.12 -1.259342357e+00 -1.259342357e+00 2.14 -1.662883656e+00 -1.662883656e+00 2.16 -2.033569856e+00 -2.033569856e+00 2.18 -2.372743459e+00 -2.372743459e+00 2.20 -2.681860902e+00 -2.681860902e+00 2.22 -2.962390447e+00 -2.962390447e+00 2.24 -3.215760329e+00 -3.215760329e+00 2.26 -3.442465816e+00 -3.442465816e+00 2.28 -3.644839770e+00 -3.644839770e+00 2.30 -3.824317413e+00 -3.824317413e+00 2.32 -3.982253722e+00 -3.982253722e+00 2.34 -4.119702429e+00 -4.119702429e+00 2.36 -4.237731147e+00 -4.237731147e+00 2.38 -4.337943512e+00 -4.337943512e+00 2.40 -4.421503380e+00 -4.421503380e+00 2.42 -4.489860384e+00 -4.489860384e+00 2.44 -4.543719333e+00 -4.543719333e+00 2.46 -4.584111879e+00 -4.584111879e+00 2.48 -4.611792863e+00 -4.611792863e+00 2.50 -4.628187394e+00 -4.628187394e+00 2.52 -4.634682270e+00 -4.634682270e+00 2.54 -4.631709916e+00 -4.631709916e+00 2.56 -4.619830380e+00 -4.619830380e+00 2.58 -4.599803276e+00 -4.599803276e+00 2.60 -4.572973218e+00 -4.572973218e+00 2.62 -4.539563504e+00 -4.539563504e+00 2.64 -4.500045822e+00 -4.500045822e+00 2.66 -4.455087988e+00 -4.455087988e+00 2.68 -4.405263608e+00 -4.405263608e+00 2.70 -4.351063849e+00 -4.351063849e+00 2.72 -4.292995255e+00 -4.292995255e+00 2.74 -4.230988004e+00 -4.230988004e+00 2.76 -4.165587795e+00 -4.165587795e+00 2.78 -4.097890276e+00 -4.097890276e+00 2.80 -4.027867337e+00 -4.027867337e+00 2.82 -3.955439852e+00 -3.955439852e+00 2.84 -3.881579563e+00 -3.881579563e+00 2.86 -3.806537768e+00 -3.806537768e+00 2.88 -3.729974837e+00 -3.729974837e+00 2.90 -3.652557821e+00 -3.652557821e+00 2.92 -3.574742628e+00 -3.574742628e+00 2.94 -3.496752933e+00 -3.496752933e+00 2.96 -3.419318218e+00 -3.419318218e+00 2.98 -3.341990476e+00 -3.341990476e+00 3.00 -3.264903978e+00 -3.264903978e+00 3.02 -3.188191999e+00 -3.188191999e+00 3.04 -3.112164311e+00 -3.112164311e+00 3.06 -3.036986460e+00 -3.036986460e+00 3.08 -2.962475717e+00 -2.962475717e+00 3.10 -2.888719543e+00 -2.888719543e+00 3.12 -2.815792147e+00 -2.815792147e+00 3.14 -2.743758791e+00 -2.743758791e+00 3.16 -2.672676557e+00 -2.672676557e+00 3.18 -2.602595061e+00 -2.602595061e+00 3.20 -2.533557120e+00 -2.533557120e+00 3.22 -2.465599273e+00 -2.465599273e+00 3.24 -2.398749418e+00 -2.398749418e+00 3.26 -2.333379020e+00 -2.333379020e+00 3.28 -2.269268603e+00 -2.269268603e+00 3.30 -2.206317513e+00 -2.206317513e+00 3.32 -2.144511051e+00 -2.144511051e+00 3.34 -2.083827437e+00 -2.083827437e+00 3.36 -2.024202279e+00 -2.024202279e+00 3.38 -1.965631328e+00 -1.965631328e+00 3.40 -1.908285091e+00 -1.908285091e+00 3.42 -1.852171882e+00 -1.852171882e+00 3.44 -1.797042520e+00 -1.797042520e+00 3.46 -1.742800260e+00 -1.742800260e+00 3.48 -1.689583466e+00 -1.689583466e+00 3.50 -1.637514033e+00 -1.637514033e+00 3.52 -1.586630938e+00 -1.586630938e+00 3.54 -1.536941366e+00 -1.536941366e+00 3.56 -1.488419758e+00 -1.488419758e+00 3.58 -1.441044444e+00 -1.441044444e+00 3.60 -1.394797184e+00 -1.394797184e+00 3.62 -1.349658898e+00 -1.349658898e+00 3.64 -1.305616925e+00 -1.305616925e+00 3.66 -1.262658942e+00 -1.262658942e+00 3.68 -1.220758465e+00 -1.220758465e+00 3.70 -1.179893162e+00 -1.179893162e+00 3.72 -1.140053847e+00 -1.140053847e+00 3.74 -1.101221797e+00 -1.101221797e+00 3.76 -1.063384792e+00 -1.063384792e+00 3.78 -1.026475472e+00 -1.026475472e+00 3.80 -9.904619830e-01 -9.904619830e-01 3.82 -9.553570083e-01 -9.553570083e-01 3.84 -9.211902322e-01 -9.211902322e-01 3.86 -8.879972091e-01 -8.879972091e-01 3.88 -8.558029423e-01 -8.558029423e-01 3.90 -8.246584767e-01 -8.246584767e-01 3.92 -7.945206548e-01 -7.945206548e-01 3.94 -7.651700254e-01 -7.651700254e-01 3.96 -7.365336413e-01 -7.365336413e-01 3.98 -7.085695253e-01 -7.085695253e-01 4.00 -6.812541979e-01 -6.812541979e-01 4.02 -6.545775329e-01 -6.545775329e-01 4.04 -6.285386897e-01 -6.285386897e-01 4.06 -6.031744053e-01 -6.031744053e-01 4.08 -5.786125058e-01 -5.786125058e-01 4.10 -5.546329763e-01 -5.546329763e-01 4.12 -5.310196095e-01 -5.310196095e-01 4.14 -5.076652437e-01 -5.076652437e-01 4.16 -4.846626539e-01 -4.846626539e-01 4.18 -4.626674318e-01 -4.626674318e-01 4.20 -4.409494916e-01 -4.409494916e-01 4.22 -4.195338039e-01 -4.195338039e-01 4.24 -3.984425362e-01 -3.984425362e-01 4.26 -3.776982183e-01 -3.776982183e-01 4.28 -3.572805282e-01 -3.572805282e-01 4.30 -3.380217070e-01 -3.380217070e-01 4.32 -3.193884410e-01 -3.193884410e-01 4.34 -3.011157823e-01 -3.011157823e-01 4.36 -2.833029312e-01 -2.833029312e-01 4.38 -2.660184580e-01 -2.660184580e-01 4.40 -2.493124353e-01 -2.493124353e-01 4.42 -2.332196485e-01 -2.332196485e-01 4.44 -2.177623047e-01 -2.177623047e-01 4.46 -2.029523288e-01 -2.029523288e-01 4.48 -1.887932984e-01 -1.887932984e-01 4.50 -1.752820786e-01 -1.752820786e-01 4.52 -1.624101953e-01 -1.624101953e-01 4.54 -1.501649856e-01 -1.501649856e-01 4.56 -1.385305613e-01 -1.385305613e-01 4.58 -1.274892533e-01 -1.274892533e-01 4.60 -1.171548829e-01 -1.171548829e-01 4.62 -1.074912207e-01 -1.074912207e-01 4.64 -9.833764126e-02 -9.833764126e-02 4.66 -8.967299289e-02 -8.967299289e-02 4.68 -8.147594521e-02 -8.147594521e-02 4.70 -7.372522474e-02 -7.372522474e-02 4.72 -6.639980271e-02 -6.639980271e-02 4.74 -5.947904237e-02 -5.947904237e-02 4.76 -5.294281271e-02 -5.294281271e-02 4.78 -4.677968769e-02 -4.677968769e-02 4.80 -4.101336400e-02 -4.101336400e-02 4.82 -3.686544996e-02 -3.686544996e-02 4.84 -3.300497814e-02 -3.300497814e-02 4.86 -2.936497303e-02 -2.936497303e-02 4.88 -2.593001019e-02 -2.593001019e-02 4.90 -2.268910252e-02 -2.268910252e-02 4.92 -1.963132172e-02 -1.963132172e-02 4.94 -1.670775428e-02 -1.670775428e-02 4.96 -1.464048945e-02 -1.464048945e-02 4.98 -1.333584387e-02 -1.333584387e-02 5.00 -1.207836133e-02 -1.207836133e-02 5.02 -1.089324078e-02 -1.089324078e-02 5.04 -9.776619674e-03 -9.776619674e-03 5.06 -8.724655303e-03 -8.724655303e-03 5.08 -7.733713002e-03 -7.733713002e-03 5.10 -6.800355609e-03 -6.800355609e-03 5.12 -5.921333343e-03 -5.921333343e-03 5.14 -5.093574113e-03 -5.093574113e-03 5.16 -4.314174250e-03 -4.314174250e-03 5.18 -3.580389675e-03 -3.580389675e-03 5.20 -2.889627461e-03 -2.889627461e-03 5.22 -2.239437790e-03 -2.239437790e-03 5.24 -1.627506319e-03 -1.627506319e-03 5.26 -1.051646927e-03 -1.051646927e-03 5.28 -5.101237027e-04 -5.101237027e-04 5.30 -7.961698433e-16 -7.952838272e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 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