# 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 = MgPtTi2 # 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 3.661278559e+02 3.661278559e+02 1.30 3.404980166e+02 3.404980166e+02 1.32 3.166834550e+02 3.166834550e+02 1.34 2.945511347e+02 2.945511347e+02 1.36 2.739805848e+02 2.739805848e+02 1.38 2.548565204e+02 2.548565204e+02 1.40 2.370664398e+02 2.370664398e+02 1.42 2.205026517e+02 2.205026517e+02 1.44 2.050655495e+02 2.050655495e+02 1.46 1.906660560e+02 1.906660560e+02 1.48 1.772264062e+02 1.772264062e+02 1.50 1.646789475e+02 1.646789475e+02 1.52 1.529633775e+02 1.529633775e+02 1.54 1.420237989e+02 1.420237989e+02 1.56 1.318068013e+02 1.318068013e+02 1.58 1.222607801e+02 1.222607801e+02 1.60 1.133360898e+02 1.133360898e+02 1.62 1.049857001e+02 1.049857001e+02 1.64 9.716611104e+01 9.716611104e+01 1.66 8.983826147e+01 8.983826147e+01 1.68 8.296817651e+01 8.296817651e+01 1.70 7.652706312e+01 7.652706312e+01 1.72 7.049056033e+01 7.049056033e+01 1.74 6.483707314e+01 6.483707314e+01 1.76 5.954579593e+01 5.954579593e+01 1.78 5.459566198e+01 5.459566198e+01 1.80 4.997178879e+01 4.997178879e+01 1.82 4.569668853e+01 4.569668853e+01 1.84 4.175017279e+01 4.175017279e+01 1.86 3.810509041e+01 3.810509041e+01 1.88 3.473673508e+01 3.473673508e+01 1.90 3.162260955e+01 3.162260955e+01 1.92 2.874229697e+01 2.874229697e+01 1.94 2.607737762e+01 2.607737762e+01 1.96 2.361129487e+01 2.361129487e+01 1.98 2.132915260e+01 2.132915260e+01 2.00 1.921748201e+01 1.921748201e+01 2.02 1.726401650e+01 1.726401650e+01 2.04 1.545749775e+01 1.545749775e+01 2.06 1.378752882e+01 1.378752882e+01 2.08 1.224448098e+01 1.224448098e+01 2.10 1.081943436e+01 1.081943436e+01 2.12 9.504124410e+00 9.504124410e+00 2.14 8.290875201e+00 8.290875201e+00 2.16 7.172531731e+00 7.172531731e+00 2.18 6.142406347e+00 6.142406347e+00 2.20 5.194245365e+00 5.194245365e+00 2.22 4.322205401e+00 4.322205401e+00 2.24 3.520835247e+00 3.520835247e+00 2.26 2.785061148e+00 2.785061148e+00 2.28 2.110175155e+00 2.110175155e+00 2.30 1.491822004e+00 1.491822004e+00 2.32 9.259776333e-01 9.259776333e-01 2.34 4.089218400e-01 4.089218400e-01 2.36 -6.279612731e-02 -6.279612731e-02 2.38 -4.923921454e-01 -4.923921454e-01 2.40 -8.828820303e-01 -8.828820303e-01 2.42 -1.237114082e+00 -1.237114082e+00 2.44 -1.557793850e+00 -1.557793850e+00 2.46 -1.847500977e+00 -1.847500977e+00 2.48 -2.108697727e+00 -2.108697727e+00 2.50 -2.343731948e+00 -2.343731948e+00 2.52 -2.554833779e+00 -2.554833779e+00 2.54 -2.744103279e+00 -2.744103279e+00 2.56 -2.913505696e+00 -2.913505696e+00 2.58 -3.065756457e+00 -3.065756457e+00 2.60 -3.202698046e+00 -3.202698046e+00 2.62 -3.325368178e+00 -3.325368178e+00 2.64 -3.434668834e+00 -3.434668834e+00 2.66 -3.531441930e+00 -3.531441930e+00 2.68 -3.616420247e+00 -3.616420247e+00 2.70 -3.690137289e+00 -3.690137289e+00 2.72 -3.753110365e+00 -3.753110365e+00 2.74 -3.805849359e+00 -3.805849359e+00 2.76 -3.848857563e+00 -3.848857563e+00 2.78 -3.882629738e+00 -3.882629738e+00 2.80 -3.907650770e+00 -3.907650770e+00 2.82 -3.924392779e+00 -3.924392779e+00 2.84 -3.933239683e+00 -3.933239683e+00 2.86 -3.934474129e+00 -3.934474129e+00 2.88 -3.928416579e+00 -3.928416579e+00 2.90 -3.915441317e+00 -3.915441317e+00 2.92 -3.895981602e+00 -3.895981602e+00 2.94 -3.870532595e+00 -3.870532595e+00 2.96 -3.839649275e+00 -3.839649275e+00 2.98 -3.803937139e+00 -3.803937139e+00 3.00 -3.764034560e+00 -3.764034560e+00 3.02 -3.720587410e+00 -3.720587410e+00 3.04 -3.674218423e+00 -3.674218423e+00 3.06 -3.625497703e+00 -3.625497703e+00 3.08 -3.574915899e+00 -3.574915899e+00 3.10 -3.522870845e+00 -3.522870845e+00 3.12 -3.469665059e+00 -3.469665059e+00 3.14 -3.415516317e+00 -3.415516317e+00 3.16 -3.360573337e+00 -3.360573337e+00 3.18 -3.304936890e+00 -3.304936890e+00 3.20 -3.248678147e+00 -3.248678147e+00 3.22 -3.191853533e+00 -3.191853533e+00 3.24 -3.134515057e+00 -3.134515057e+00 3.26 -3.076716467e+00 -3.076716467e+00 3.28 -3.018516141e+00 -3.018516141e+00 3.30 -2.959977657e+00 -2.959977657e+00 3.32 -2.901168902e+00 -2.901168902e+00 3.34 -2.842160473e+00 -2.842160473e+00 3.36 -2.783023982e+00 -2.783023982e+00 3.38 -2.723830822e+00 -2.723830822e+00 3.40 -2.664666528e+00 -2.664666528e+00 3.42 -2.605654004e+00 -2.605654004e+00 3.44 -2.546912896e+00 -2.546912896e+00 3.46 -2.488555233e+00 -2.488555233e+00 3.48 -2.430688875e+00 -2.430688875e+00 3.50 -2.373420252e+00 -2.373420252e+00 3.52 -2.316855728e+00 -2.316855728e+00 3.54 -2.261104428e+00 -2.261104428e+00 3.56 -2.206282077e+00 -2.206282077e+00 3.58 -2.152473861e+00 -2.152473861e+00 3.60 -2.099751836e+00 -2.099751836e+00 3.62 -2.048173209e+00 -2.048173209e+00 3.64 -1.997776619e+00 -1.997776619e+00 3.66 -1.948580586e+00 -1.948580586e+00 3.68 -1.900584226e+00 -1.900584226e+00 3.70 -1.853769859e+00 -1.853769859e+00 3.72 -1.808106658e+00 -1.808106658e+00 3.74 -1.763548124e+00 -1.763548124e+00 3.76 -1.720027056e+00 -1.720027056e+00 3.78 -1.677476071e+00 -1.677476071e+00 3.80 -1.635832312e+00 -1.635832312e+00 3.82 -1.595038637e+00 -1.595038637e+00 3.84 -1.555044149e+00 -1.555044149e+00 3.86 -1.515804166e+00 -1.515804166e+00 3.88 -1.477279773e+00 -1.477279773e+00 3.90 -1.439437079e+00 -1.439437079e+00 3.92 -1.402246216e+00 -1.402246216e+00 3.94 -1.365680946e+00 -1.365680946e+00 3.96 -1.329717099e+00 -1.329717099e+00 3.98 -1.294332595e+00 -1.294332595e+00 4.00 -1.259507067e+00 -1.259507067e+00 4.02 -1.225221966e+00 -1.225221966e+00 4.04 -1.191461030e+00 -1.191461030e+00 4.06 -1.158211042e+00 -1.158211042e+00 4.08 -1.125462814e+00 -1.125462814e+00 4.10 -1.093211882e+00 -1.093211882e+00 4.12 -1.061461109e+00 -1.061461109e+00 4.14 -1.030218878e+00 -1.030218878e+00 4.16 -9.995011507e-01 -9.995011507e-01 4.18 -9.693306266e-01 -9.693306266e-01 4.20 -9.397356522e-01 -9.397356522e-01 4.22 -9.107484193e-01 -9.107484193e-01 4.24 -8.824025837e-01 -8.824025837e-01 4.26 -8.547305513e-01 -8.547305513e-01 4.28 -8.277607499e-01 -8.277607499e-01 4.30 -8.015152132e-01 -8.015152132e-01 4.32 -7.760077487e-01 -7.760077487e-01 4.34 -7.512428534e-01 -7.512428534e-01 4.36 -7.272154169e-01 -7.272154169e-01 4.38 -7.039111327e-01 -7.039111327e-01 4.40 -6.813074580e-01 -6.813074580e-01 4.42 -6.593749260e-01 -6.593749260e-01 4.44 -6.380786167e-01 -6.380786167e-01 4.46 -6.173796298e-01 -6.173796298e-01 4.48 -5.972364509e-01 -5.972364509e-01 4.50 -5.776061544e-01 -5.776061544e-01 4.52 -5.584454309e-01 -5.584454309e-01 4.54 -5.397114589e-01 -5.397114589e-01 4.56 -5.213626619e-01 -5.213626619e-01 4.58 -5.033593981e-01 -5.033593981e-01 4.60 -4.856646299e-01 -4.856646299e-01 4.62 -4.682446115e-01 -4.682446115e-01 4.64 -4.510696177e-01 -4.510696177e-01 4.66 -4.341147176e-01 -4.341147176e-01 4.68 -4.173605775e-01 -4.173605775e-01 4.70 -4.007942523e-01 -4.007942523e-01 4.72 -3.844099033e-01 -3.844099033e-01 4.74 -3.682093634e-01 -3.682093634e-01 4.76 -3.522024611e-01 -3.522024611e-01 4.78 -3.364070151e-01 -3.364070151e-01 4.80 -3.208481718e-01 -3.208481718e-01 4.82 -3.055586423e-01 -3.055586423e-01 4.84 -2.905757401e-01 -2.905757401e-01 4.86 -2.759409222e-01 -2.759409222e-01 4.88 -2.616975732e-01 -2.616975732e-01 4.90 -2.478889835e-01 -2.478889835e-01 4.92 -2.345563705e-01 -2.345563705e-01 4.94 -2.217370942e-01 -2.217370942e-01 4.96 -2.094631844e-01 -2.094631844e-01 4.98 -1.977602499e-01 -1.977602499e-01 5.00 -1.866467906e-01 -1.866467906e-01 5.02 -1.761338889e-01 -1.761338889e-01 5.04 -1.662252301e-01 -1.662252301e-01 5.06 -1.569173907e-01 -1.569173907e-01 5.08 -1.482003369e-01 -1.482003369e-01 5.10 -1.400580837e-01 -1.400580837e-01 5.12 -1.324694755e-01 -1.324694755e-01 5.14 -1.254090541e-01 -1.254090541e-01 5.16 -1.188479799e-01 -1.188479799e-01 5.18 -1.127549693e-01 -1.127549693e-01 5.20 -1.070972103e-01 -1.070972103e-01 5.22 -1.018412167e-01 -1.018412167e-01 5.24 -9.695358929e-02 -9.695358929e-02 5.26 -9.240165999e-02 -9.240165999e-02 5.28 -8.815400386e-02 -8.815400386e-02 5.30 -8.418081880e-02 -8.418081880e-02 5.32 -8.045418140e-02 -8.045418140e-02 5.34 -7.694819141e-02 -7.694819141e-02 5.36 -7.363902452e-02 -7.363902452e-02 5.38 -7.050491376e-02 -7.050491376e-02 5.40 -6.752607945e-02 -6.752607945e-02 5.42 -6.468462610e-02 -6.468462610e-02 5.44 -6.196442185e-02 -6.196442185e-02 5.46 -5.935095441e-02 -5.935095441e-02 5.48 -5.683116586e-02 -5.683116586e-02 5.50 -5.439352825e-02 -5.439352825e-02 5.52 -5.202784993e-02 -5.202784993e-02 5.54 -4.972520001e-02 -4.972520001e-02 5.56 -4.747787488e-02 -4.747787488e-02 5.58 -4.527938706e-02 -4.527938706e-02 5.60 -4.312447318e-02 -4.312447318e-02 5.62 -4.100911524e-02 -4.100911524e-02 5.64 -3.893056716e-02 -3.893056716e-02 5.66 -3.688737630e-02 -3.688737630e-02 5.68 -3.487938828e-02 -3.487938828e-02 5.70 -3.290772280e-02 -3.290772280e-02 5.72 -3.097470911e-02 -3.097470911e-02 5.74 -2.908377218e-02 -2.908377218e-02 5.76 -2.723926457e-02 -2.723926457e-02 5.78 -2.544624615e-02 -2.544624615e-02 5.80 -2.371021228e-02 -2.371021228e-02 5.82 -2.203679610e-02 -2.203679610e-02 5.84 -2.043145460e-02 -2.043145460e-02 5.86 -1.889916398e-02 -1.889916398e-02 5.88 -1.744414720e-02 -1.744414720e-02 5.90 -1.606965398e-02 -1.606965398e-02 5.92 -1.477772203e-02 -1.477772203e-02 5.94 -1.356918672e-02 -1.356918672e-02 5.96 -1.244386823e-02 -1.244386823e-02 5.98 -1.140040525e-02 -1.140040525e-02 6.00 -1.043639256e-02 -1.043639256e-02