# 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 = MgPbTa2 # 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 4.979221069e+02 4.979221069e+02 1.30 4.639221203e+02 4.639221203e+02 1.32 4.323646154e+02 4.323646154e+02 1.34 4.030576039e+02 4.030576039e+02 1.36 3.758221475e+02 3.758221475e+02 1.38 3.504928307e+02 3.504928307e+02 1.40 3.269184907e+02 3.269184907e+02 1.42 3.049622652e+02 3.049622652e+02 1.44 2.845006232e+02 2.845006232e+02 1.46 2.654217655e+02 2.654217655e+02 1.48 2.476240720e+02 2.476240720e+02 1.50 2.310149299e+02 2.310149299e+02 1.52 2.155097818e+02 2.155097818e+02 1.54 2.010310718e+02 2.010310718e+02 1.56 1.875071212e+02 1.875071212e+02 1.58 1.748712368e+02 1.748712368e+02 1.60 1.630612641e+02 1.630612641e+02 1.62 1.520195009e+02 1.520195009e+02 1.64 1.416926975e+02 1.416926975e+02 1.66 1.320319246e+02 1.320319246e+02 1.68 1.229922204e+02 1.229922204e+02 1.70 1.145321012e+02 1.145321012e+02 1.72 1.066130450e+02 1.066130450e+02 1.74 9.919906415e+01 9.919906415e+01 1.76 9.225641153e+01 9.225641153e+01 1.78 8.575341451e+01 8.575341451e+01 1.80 7.966040239e+01 7.966040239e+01 1.82 7.394972207e+01 7.394972207e+01 1.84 6.860155437e+01 6.860155437e+01 1.86 6.359573917e+01 6.359573917e+01 1.88 5.890958024e+01 5.890958024e+01 1.90 5.452230889e+01 5.452230889e+01 1.92 5.041968750e+01 5.041968750e+01 1.94 4.658628677e+01 4.658628677e+01 1.96 4.300572362e+01 4.300572362e+01 1.98 3.966292570e+01 3.966292570e+01 2.00 3.654385242e+01 3.654385242e+01 2.02 3.363522595e+01 3.363522595e+01 2.04 3.092430847e+01 3.092430847e+01 2.06 2.839877700e+01 2.839877700e+01 2.08 2.604670685e+01 2.604670685e+01 2.10 2.385664030e+01 2.385664030e+01 2.12 2.181768761e+01 2.181768761e+01 2.14 1.991961671e+01 1.991961671e+01 2.16 1.815290420e+01 1.815290420e+01 2.18 1.650873934e+01 1.650873934e+01 2.20 1.497898472e+01 1.497898472e+01 2.22 1.355611034e+01 1.355611034e+01 2.24 1.223311237e+01 1.223311237e+01 2.26 1.100342891e+01 1.100342891e+01 2.28 9.860857217e+00 9.860857217e+00 2.30 8.799489436e+00 8.799489436e+00 2.32 7.813658630e+00 7.813658630e+00 2.34 6.897924141e+00 6.897924141e+00 2.36 6.047080804e+00 6.047080804e+00 2.38 5.256199738e+00 5.256199738e+00 2.40 4.520681963e+00 4.520681963e+00 2.42 3.836307816e+00 3.836307816e+00 2.44 3.199265723e+00 3.199265723e+00 2.46 2.606153228e+00 2.606153228e+00 2.48 2.053950919e+00 2.053950919e+00 2.50 1.539977611e+00 1.539977611e+00 2.52 1.061962214e+00 1.061962214e+00 2.54 6.177939596e-01 6.177939596e-01 2.56 2.052812904e-01 2.052812904e-01 2.58 -1.775673764e-01 -1.775673764e-01 2.60 -5.325805113e-01 -5.325805113e-01 2.62 -8.614528651e-01 -8.614528651e-01 2.64 -1.165769565e+00 -1.165769565e+00 2.66 -1.447015790e+00 -1.447015790e+00 2.68 -1.706537214e+00 -1.706537214e+00 2.70 -1.945306833e+00 -1.945306833e+00 2.72 -2.164188394e+00 -2.164188394e+00 2.74 -2.364053942e+00 -2.364053942e+00 2.76 -2.545767929e+00 -2.545767929e+00 2.78 -2.710175357e+00 -2.710175357e+00 2.80 -2.858094478e+00 -2.858094478e+00 2.82 -2.990311914e+00 -2.990311914e+00 2.84 -3.107581987e+00 -3.107581987e+00 2.86 -3.210627634e+00 -3.210627634e+00 2.88 -3.300142758e+00 -3.300142758e+00 2.90 -3.376794988e+00 -3.376794988e+00 2.92 -3.441228035e+00 -3.441228035e+00 2.94 -3.494063113e+00 -3.494063113e+00 2.96 -3.535899189e+00 -3.535899189e+00 2.98 -3.567312147e+00 -3.567312147e+00 3.00 -3.588853307e+00 -3.588853307e+00 3.02 -3.601047892e+00 -3.601047892e+00 3.04 -3.604393724e+00 -3.604393724e+00 3.06 -3.599364015e+00 -3.599364015e+00 3.08 -3.586406761e+00 -3.586406761e+00 3.10 -3.565952517e+00 -3.565952517e+00 3.12 -3.538420650e+00 -3.538420650e+00 3.14 -3.504234006e+00 -3.504234006e+00 3.16 -3.463823555e+00 -3.463823555e+00 3.18 -3.417645346e+00 -3.417645346e+00 3.20 -3.366189979e+00 -3.366189979e+00 3.22 -3.309990827e+00 -3.309990827e+00 3.24 -3.249628309e+00 -3.249628309e+00 3.26 -3.185729086e+00 -3.185729086e+00 3.28 -3.118959319e+00 -3.118959319e+00 3.30 -3.050011697e+00 -3.050011697e+00 3.32 -2.979586645e+00 -2.979586645e+00 3.34 -2.908369128e+00 -2.908369128e+00 3.36 -2.837003363e+00 -2.837003363e+00 3.38 -2.766068367e+00 -2.766068367e+00 3.40 -2.696057164e+00 -2.696057164e+00 3.42 -2.627362667e+00 -2.627362667e+00 3.44 -2.560269740e+00 -2.560269740e+00 3.46 -2.494956025e+00 -2.494956025e+00 3.48 -2.431498694e+00 -2.431498694e+00 3.50 -2.369898694e+00 -2.369898694e+00 3.52 -2.310103030e+00 -2.310103030e+00 3.54 -2.251926025e+00 -2.251926025e+00 3.56 -2.195138757e+00 -2.195138757e+00 3.58 -2.139492087e+00 -2.139492087e+00 3.60 -2.084730177e+00 -2.084730177e+00 3.62 -2.030618990e+00 -2.030618990e+00 3.64 -1.976923542e+00 -1.976923542e+00 3.66 -1.923359028e+00 -1.923359028e+00 3.68 -1.869671580e+00 -1.869671580e+00 3.70 -1.815655638e+00 -1.815655638e+00 3.72 -1.761161397e+00 -1.761161397e+00 3.74 -1.706045695e+00 -1.706045695e+00 3.76 -1.650129455e+00 -1.650129455e+00 3.78 -1.593314197e+00 -1.593314197e+00 3.80 -1.535600883e+00 -1.535600883e+00 3.82 -1.477090083e+00 -1.477090083e+00 3.84 -1.417976424e+00 -1.417976424e+00 3.86 -1.358536929e+00 -1.358536929e+00 3.88 -1.299113661e+00 -1.299113661e+00 3.90 -1.240091959e+00 -1.240091959e+00 3.92 -1.181875841e+00 -1.181875841e+00 3.94 -1.124865316e+00 -1.124865316e+00 3.96 -1.069431725e+00 -1.069431725e+00 3.98 -1.015901473e+00 -1.015901473e+00 4.00 -9.645428068e-01 -9.645428068e-01 4.02 -9.155587709e-01 -9.155587709e-01 4.04 -8.690855519e-01 -8.690855519e-01 4.06 -8.251953845e-01 -8.251953845e-01 4.08 -7.839028545e-01 -7.839028545e-01 4.10 -7.451715754e-01 -7.451715754e-01 4.12 -7.089311485e-01 -7.089311485e-01 4.14 -6.750749359e-01 -6.750749359e-01 4.16 -6.434772984e-01 -6.434772984e-01 4.18 -6.139992990e-01 -6.139992990e-01 4.20 -5.864953401e-01 -5.864953401e-01 4.22 -5.608184798e-01 -5.608184798e-01 4.24 -5.368244911e-01 -5.368244911e-01 4.26 -5.143747976e-01 -5.143747976e-01 4.28 -4.933384544e-01 -4.933384544e-01 4.30 -4.735933531e-01 -4.735933531e-01 4.32 -4.550268185e-01 -4.550268185e-01 4.34 -4.375357487e-01 -4.375357487e-01 4.36 -4.210264269e-01 -4.210264269e-01 4.38 -4.054141080e-01 -4.054141080e-01 4.40 -3.906224634e-01 -3.906224634e-01 4.42 -3.765829451e-01 -3.765829451e-01 4.44 -3.632341169e-01 -3.632341169e-01 4.46 -3.505209840e-01 -3.505209840e-01 4.48 -3.383943441e-01 -3.383943441e-01 4.50 -3.268101720e-01 -3.268101720e-01 4.52 -3.157290513e-01 -3.157290513e-01 4.54 -3.051156524e-01 -3.051156524e-01 4.56 -2.949382587e-01 -2.949382587e-01 4.58 -2.851683408e-01 -2.851683408e-01 4.60 -2.757801766e-01 -2.757801766e-01 4.62 -2.667505123e-01 -2.667505123e-01 4.64 -2.580582626e-01 -2.580582626e-01 4.66 -2.496842468e-01 -2.496842468e-01 4.68 -2.416109565e-01 -2.416109565e-01 4.70 -2.338223507e-01 -2.338223507e-01 4.72 -2.263036776e-01 -2.263036776e-01 4.74 -2.190413177e-01 -2.190413177e-01 4.76 -2.120226478e-01 -2.120226478e-01 4.78 -2.052359220e-01 -2.052359220e-01 4.80 -1.986691783e-01 -1.986691783e-01 4.82 -1.923142754e-01 -1.923142754e-01 4.84 -1.861603597e-01 -1.861603597e-01 4.86 -1.801983002e-01 -1.801983002e-01 4.88 -1.744193810e-01 -1.744193810e-01 4.90 -1.688154273e-01 -1.688154273e-01 4.92 -1.633787064e-01 -1.633787064e-01 4.94 -1.581018753e-01 -1.581018753e-01 4.96 -1.529779669e-01 -1.529779669e-01 4.98 -1.480003853e-01 -1.480003853e-01 5.00 -1.431629085e-01 -1.431629085e-01 5.02 -1.384596986e-01 -1.384596986e-01 5.04 -1.338853191e-01 -1.338853191e-01 5.06 -1.294347572e-01 -1.294347572e-01 5.08 -1.251034464e-01 -1.251034464e-01 5.10 -1.208872927e-01 -1.208872927e-01 5.12 -1.167826994e-01 -1.167826994e-01 5.14 -1.127865848e-01 -1.127865848e-01 5.16 -1.088963901e-01 -1.088963901e-01 5.18 -1.051100748e-01 -1.051100748e-01 5.20 -1.014260950e-01 -1.014260950e-01 5.22 -9.784336238e-02 -9.784336238e-02 5.24 -9.436118373e-02 -9.436118373e-02 5.26 -9.097912968e-02 -9.097912968e-02 5.28 -8.769666963e-02 -8.769666963e-02 5.30 -8.451384256e-02 -8.451384256e-02 5.32 -8.143077677e-02 -8.143077677e-02 5.34 -7.844746748e-02 -7.844746748e-02 5.36 -7.556367894e-02 -7.556367894e-02 5.38 -7.277886377e-02 -7.277886377e-02 5.40 -7.009210323e-02 -7.009210323e-02 5.42 -6.750206999e-02 -6.750206999e-02 5.44 -6.500701233e-02 -6.500701233e-02 5.46 -6.260475744e-02 -6.260475744e-02 5.48 -6.029273012e-02 -6.029273012e-02 5.50 -5.806798329e-02 -5.806798329e-02 5.52 -5.592723697e-02 -5.592723697e-02 5.54 -5.386692338e-02 -5.386692338e-02 5.56 -5.188323467e-02 -5.188323467e-02 5.58 -4.997217449e-02 -4.997217449e-02 5.60 -4.812961094e-02 -4.812961094e-02 5.62 -4.635132982e-02 -4.635132982e-02 5.64 -4.463308744e-02 -4.463308744e-02 5.66 -4.297066189e-02 -4.297066189e-02 5.68 -4.135990189e-02 -4.135990189e-02 5.70 -3.979677231e-02 -3.979677231e-02 5.72 -3.827739588e-02 -3.827739588e-02 5.74 -3.679809106e-02 -3.679809106e-02 5.76 -3.535540583e-02 -3.535540583e-02 5.78 -3.394614845e-02 -3.394614845e-02 5.80 -3.256741587e-02 -3.256741587e-02 5.82 -3.121661826e-02 -3.121661826e-02 5.84 -2.989150198e-02 -2.989150198e-02 5.86 -2.859017053e-02 -2.859017053e-02 5.88 -2.731110289e-02 -2.731110289e-02 5.90 -2.605316882e-02 -2.605316882e-02 5.92 -2.481563972e-02 -2.481563972e-02 5.94 -2.359819396e-02 -2.359819396e-02 5.96 -2.240091500e-02 -2.240091500e-02 5.98 -2.122428085e-02 -2.122428085e-02 6.00 -2.006914342e-02 -2.006914342e-02