# 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 = CoPtTi2 # 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 2.789217337e+02 2.789217337e+02 1.30 2.590081796e+02 2.590081796e+02 1.32 2.405097504e+02 2.405097504e+02 1.34 2.233242609e+02 2.233242609e+02 1.36 2.073574557e+02 2.073574557e+02 1.38 1.925175828e+02 1.925175828e+02 1.40 1.787151772e+02 1.787151772e+02 1.42 1.658660162e+02 1.658660162e+02 1.44 1.538936995e+02 1.538936995e+02 1.46 1.427304039e+02 1.427304039e+02 1.48 1.323163506e+02 1.323163506e+02 1.50 1.225986526e+02 1.225986526e+02 1.52 1.135295911e+02 1.135295911e+02 1.54 1.050646877e+02 1.050646877e+02 1.56 9.716135561e+01 9.716135561e+01 1.58 8.977837380e+01 8.977837380e+01 1.60 8.287597547e+01 8.287597547e+01 1.62 7.641638431e+01 7.641638431e+01 1.64 7.036466199e+01 7.036466199e+01 1.66 6.468965172e+01 6.468965172e+01 1.68 5.936476416e+01 5.936476416e+01 1.70 5.436823719e+01 5.436823719e+01 1.72 4.968241838e+01 4.968241838e+01 1.74 4.529197953e+01 4.529197953e+01 1.76 4.118180036e+01 4.118180036e+01 1.78 3.733567586e+01 3.733567586e+01 1.80 3.373658554e+01 3.373658554e+01 1.82 3.039503688e+01 3.039503688e+01 1.84 2.732421230e+01 2.732421230e+01 1.86 2.450090664e+01 2.450090664e+01 1.88 2.190427937e+01 2.190427937e+01 1.90 1.951580600e+01 1.951580600e+01 1.92 1.731894936e+01 1.731894936e+01 1.94 1.529880132e+01 1.529880132e+01 1.96 1.344172326e+01 1.344172326e+01 1.98 1.173507230e+01 1.173507230e+01 2.00 1.016708366e+01 1.016708366e+01 2.02 8.726869899e+00 8.726869899e+00 2.04 7.404437840e+00 7.404437840e+00 2.06 6.190666278e+00 6.190666278e+00 2.08 5.077249331e+00 5.077249331e+00 2.10 4.056623442e+00 4.056623442e+00 2.12 3.121879862e+00 3.121879862e+00 2.14 2.266667895e+00 2.266667895e+00 2.16 1.485107505e+00 1.485107505e+00 2.18 7.717298300e-01 7.717298300e-01 2.20 1.214462094e-01 1.214462094e-01 2.22 -4.704691127e-01 -4.704691127e-01 2.24 -1.008394246e+00 -1.008394246e+00 2.26 -1.496375769e+00 -1.496375769e+00 2.28 -1.938145002e+00 -1.938145002e+00 2.30 -2.337135808e+00 -2.337135808e+00 2.32 -2.696509242e+00 -2.696509242e+00 2.34 -3.019183028e+00 -3.019183028e+00 2.36 -3.307862182e+00 -3.307862182e+00 2.38 -3.565066789e+00 -3.565066789e+00 2.40 -3.793157459e+00 -3.793157459e+00 2.42 -3.994359644e+00 -3.994359644e+00 2.44 -4.170785899e+00 -4.170785899e+00 2.46 -4.324455251e+00 -4.324455251e+00 2.48 -4.457308217e+00 -4.457308217e+00 2.50 -4.571215931e+00 -4.571215931e+00 2.52 -4.667979923e+00 -4.667979923e+00 2.54 -4.749319019e+00 -4.749319019e+00 2.56 -4.816847277e+00 -4.816847277e+00 2.58 -4.872917532e+00 -4.872917532e+00 2.60 -4.919230451e+00 -4.919230451e+00 2.62 -4.956548959e+00 -4.956548959e+00 2.64 -4.985509546e+00 -4.985509546e+00 2.66 -5.006657154e+00 -5.006657154e+00 2.68 -5.020505260e+00 -5.020505260e+00 2.70 -5.027323686e+00 -5.027323686e+00 2.72 -5.027348717e+00 -5.027348717e+00 2.74 -5.020849717e+00 -5.020849717e+00 2.76 -5.008078478e+00 -5.008078478e+00 2.78 -4.989260837e+00 -4.989260837e+00 2.80 -4.964638218e+00 -4.964638218e+00 2.82 -4.934464901e+00 -4.934464901e+00 2.84 -4.898951867e+00 -4.898951867e+00 2.86 -4.858201322e+00 -4.858201322e+00 2.88 -4.812359024e+00 -4.812359024e+00 2.90 -4.761641798e+00 -4.761641798e+00 2.92 -4.706328233e+00 -4.706328233e+00 2.94 -4.646733206e+00 -4.646733206e+00 2.96 -4.583246857e+00 -4.583246857e+00 2.98 -4.516334354e+00 -4.516334354e+00 3.00 -4.446517697e+00 -4.446517697e+00 3.02 -4.374349358e+00 -4.374349358e+00 3.04 -4.300379680e+00 -4.300379680e+00 3.06 -4.225122725e+00 -4.225122725e+00 3.08 -4.149025453e+00 -4.149025453e+00 3.10 -4.072447450e+00 -4.072447450e+00 3.12 -3.995653507e+00 -3.995653507e+00 3.14 -3.918819965e+00 -3.918819965e+00 3.16 -3.842050010e+00 -3.842050010e+00 3.18 -3.765394627e+00 -3.765394627e+00 3.20 -3.688872963e+00 -3.688872963e+00 3.22 -3.612489439e+00 -3.612489439e+00 3.24 -3.536246139e+00 -3.536246139e+00 3.26 -3.460150505e+00 -3.460150505e+00 3.28 -3.384219178e+00 -3.384219178e+00 3.30 -3.308479080e+00 -3.308479080e+00 3.32 -3.232966751e+00 -3.232966751e+00 3.34 -3.157726790e+00 -3.157726790e+00 3.36 -3.082810030e+00 -3.082810030e+00 3.38 -3.008272711e+00 -3.008272711e+00 3.40 -2.934201961e+00 -2.934201961e+00 3.42 -2.860715710e+00 -2.860715710e+00 3.44 -2.787925429e+00 -2.787925429e+00 3.46 -2.715936418e+00 -2.715936418e+00 3.48 -2.644850355e+00 -2.644850355e+00 3.50 -2.574767266e+00 -2.574767266e+00 3.52 -2.505786331e+00 -2.505786331e+00 3.54 -2.438005039e+00 -2.438005039e+00 3.56 -2.371516494e+00 -2.371516494e+00 3.58 -2.306405143e+00 -2.306405143e+00 3.60 -2.242741745e+00 -2.242741745e+00 3.62 -2.180578707e+00 -2.180578707e+00 3.64 -2.119946897e+00 -2.119946897e+00 3.66 -2.060854643e+00 -2.060854643e+00 3.68 -2.003289052e+00 -2.003289052e+00 3.70 -1.947219200e+00 -1.947219200e+00 3.72 -1.892600450e+00 -1.892600450e+00 3.74 -1.839379094e+00 -1.839379094e+00 3.76 -1.787496669e+00 -1.787496669e+00 3.78 -1.736893541e+00 -1.736893541e+00 3.80 -1.687511593e+00 -1.687511593e+00 3.82 -1.639296000e+00 -1.639296000e+00 3.84 -1.592196216e+00 -1.592196216e+00 3.86 -1.546166323e+00 -1.546166323e+00 3.88 -1.501164912e+00 -1.501164912e+00 3.90 -1.457154670e+00 -1.457154670e+00 3.92 -1.414101794e+00 -1.414101794e+00 3.94 -1.371975624e+00 -1.371975624e+00 3.96 -1.330747897e+00 -1.330747897e+00 3.98 -1.290392715e+00 -1.290392715e+00 4.00 -1.250886482e+00 -1.250886482e+00 4.02 -1.212208170e+00 -1.212208170e+00 4.04 -1.174339842e+00 -1.174339842e+00 4.06 -1.137267368e+00 -1.137267368e+00 4.08 -1.100981253e+00 -1.100981253e+00 4.10 -1.065477324e+00 -1.065477324e+00 4.12 -1.030757751e+00 -1.030757751e+00 4.14 -9.968306230e-01 -9.968306230e-01 4.16 -9.637101255e-01 -9.637101255e-01 4.18 -9.314155087e-01 -9.314155087e-01 4.20 -8.999695311e-01 -8.999695311e-01 4.22 -8.693963396e-01 -8.693963396e-01 4.24 -8.397189693e-01 -8.397189693e-01 4.26 -8.109567267e-01 -8.109567267e-01 4.28 -7.831227552e-01 -7.831227552e-01 4.30 -7.562220596e-01 -7.562220596e-01 4.32 -7.302501950e-01 -7.302501950e-01 4.34 -7.051927224e-01 -7.051927224e-01 4.36 -6.810254182e-01 -6.810254182e-01 4.38 -6.577151304e-01 -6.577151304e-01 4.40 -6.352211064e-01 -6.352211064e-01 4.42 -6.134965914e-01 -6.134965914e-01 4.44 -5.924905075e-01 -5.924905075e-01 4.46 -5.721490594e-01 -5.721490594e-01 4.48 -5.524171634e-01 -5.524171634e-01 4.50 -5.332396520e-01 -5.332396520e-01 4.52 -5.145622521e-01 -5.145622521e-01 4.54 -4.963323682e-01 -4.963323682e-01 4.56 -4.784997257e-01 -4.784997257e-01 4.58 -4.610169358e-01 -4.610169358e-01 4.60 -4.438400390e-01 -4.438400390e-01 4.62 -4.269290781e-01 -4.269290781e-01 4.64 -4.102487317e-01 -4.102487317e-01 4.66 -3.937690199e-01 -3.937690199e-01 4.68 -3.774660710e-01 -3.774660710e-01 4.70 -3.613229144e-01 -3.613229144e-01 4.72 -3.453302399e-01 -3.453302399e-01 4.74 -3.294870460e-01 -3.294870460e-01 4.76 -3.138010854e-01 -3.138010854e-01 4.78 -2.982890154e-01 -2.982890154e-01 4.80 -2.829760891e-01 -2.829760891e-01 4.82 -2.678958354e-01 -2.678958354e-01 4.84 -2.530884188e-01 -2.530884188e-01 4.86 -2.385994834e-01 -2.385994834e-01 4.88 -2.244781870e-01 -2.244781870e-01 4.90 -2.107751094e-01 -2.107751094e-01 4.92 -1.975400770e-01 -1.975400770e-01 4.94 -1.848200495e-01 -1.848200495e-01 4.96 -1.726572001e-01 -1.726572001e-01 4.98 -1.610872932e-01 -1.610872932e-01 5.00 -1.501384304e-01 -1.501384304e-01 5.02 -1.398302024e-01 -1.398302024e-01 5.04 -1.301732547e-01 -1.301732547e-01 5.06 -1.211692536e-01 -1.211692536e-01 5.08 -1.128112217e-01 -1.128112217e-01 5.10 -1.050841980e-01 -1.050841980e-01 5.12 -9.796616450e-02 -9.796616450e-02 5.14 -9.142917232e-02 -9.142917232e-02 5.16 -8.544059135e-02 -8.544059135e-02 5.18 -7.996440212e-02 -7.996440212e-02 5.20 -7.496245985e-02 -7.496245985e-02 5.22 -7.039566589e-02 -7.039566589e-02 5.24 -6.622498681e-02 -6.622498681e-02 5.26 -6.241183278e-02 -6.241183278e-02 5.28 -5.891980769e-02 -5.891980769e-02 5.30 -5.571482491e-02 -5.571482491e-02 5.32 -5.276497251e-02 -5.276497251e-02 5.34 -5.004076696e-02 -5.004076696e-02 5.36 -4.751525617e-02 -4.751525617e-02 5.38 -4.516401103e-02 -4.516401103e-02 5.40 -4.296503981e-02 -4.296503981e-02 5.42 -4.089865387e-02 -4.089865387e-02 5.44 -3.894730760e-02 -3.894730760e-02 5.46 -3.709543019e-02 -3.709543019e-02 5.48 -3.532926225e-02 -3.532926225e-02 5.50 -3.363670646e-02 -3.363670646e-02 5.52 -3.200719801e-02 -3.200719801e-02 5.54 -3.043159829e-02 -3.043159829e-02 5.56 -2.890211230e-02 -2.890211230e-02 5.58 -2.741222886e-02 -2.741222886e-02 5.60 -2.595668020e-02 -2.595668020e-02 5.62 -2.453141583e-02 -2.453141583e-02 5.64 -2.313358409e-02 -2.313358409e-02 5.66 -2.176151286e-02 -2.176151286e-02 5.68 -2.041468045e-02 -2.041468045e-02 5.70 -1.909366703e-02 -1.909366703e-02 5.72 -1.780007786e-02 -1.780007786e-02 5.74 -1.653643183e-02 -1.653643183e-02 5.76 -1.530601136e-02 -1.530601136e-02 5.78 -1.411267300e-02 -1.411267300e-02 5.80 -1.296063244e-02 -1.296063244e-02 5.82 -1.185422312e-02 -1.185422312e-02 5.84 -1.079764734e-02 -1.079764734e-02 5.86 -9.794739455e-03 -9.794739455e-03 5.88 -8.848756379e-03 -8.848756379e-03 5.90 -7.962210294e-03 -7.962210294e-03 5.92 -7.136872793e-03 -7.136872793e-03 5.94 -6.373758201e-03 -6.373758201e-03 5.96 -5.672483990e-03 -5.672483990e-03 5.98 -5.031836359e-03 -5.031836359e-03 6.00 -4.449889355e-03 -4.449889355e-03