# 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 = Au2TaW # 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 4.398185590e+02 4.398185590e+02 1.30 4.083124946e+02 4.083124946e+02 1.32 3.791313471e+02 3.791313471e+02 1.34 3.520907816e+02 3.520907816e+02 1.36 3.270220543e+02 3.270220543e+02 1.38 3.037712004e+02 3.037712004e+02 1.40 2.821977091e+02 2.821977091e+02 1.42 2.621721128e+02 2.621721128e+02 1.44 2.435737625e+02 2.435737625e+02 1.46 2.262898106e+02 2.262898106e+02 1.48 2.102154459e+02 2.102154459e+02 1.50 1.952548931e+02 1.952548931e+02 1.52 1.813222705e+02 1.813222705e+02 1.54 1.683413063e+02 1.683413063e+02 1.56 1.562437105e+02 1.562437105e+02 1.58 1.449670119e+02 1.449670119e+02 1.60 1.344528511e+02 1.344528511e+02 1.62 1.246461190e+02 1.246461190e+02 1.64 1.154947423e+02 1.154947423e+02 1.66 1.069497860e+02 1.069497860e+02 1.68 9.896569698e+01 9.896569698e+01 1.70 9.150061451e+01 9.150061451e+01 1.72 8.451665593e+01 8.451665593e+01 1.74 7.798005460e+01 7.798005460e+01 1.76 7.186104194e+01 7.186104194e+01 1.78 6.613341599e+01 6.613341599e+01 1.80 6.077382128e+01 6.077382128e+01 1.82 5.576087931e+01 5.576087931e+01 1.84 5.107438304e+01 5.107438304e+01 1.86 4.669474380e+01 4.669474380e+01 1.88 4.260307477e+01 4.260307477e+01 1.90 3.878480284e+01 3.878480284e+01 1.92 3.522356444e+01 3.522356444e+01 1.94 3.191985588e+01 3.191985588e+01 1.96 2.886478023e+01 2.886478023e+01 1.98 2.604120634e+01 2.604120634e+01 2.00 2.343330532e+01 2.343330532e+01 2.02 2.102625737e+01 2.102625737e+01 2.04 1.880597830e+01 1.880597830e+01 2.06 1.675892387e+01 1.675892387e+01 2.08 1.487200703e+01 1.487200703e+01 2.10 1.313263189e+01 1.313263189e+01 2.12 1.152881391e+01 1.152881391e+01 2.14 1.004933403e+01 1.004933403e+01 2.16 8.683872910e+00 8.683872910e+00 2.18 7.423088057e+00 7.423088057e+00 2.20 6.258619638e+00 6.258619638e+00 2.22 5.183031835e+00 5.183031835e+00 2.24 4.189708844e+00 4.189708844e+00 2.26 3.272728064e+00 3.272728064e+00 2.28 2.426730621e+00 2.426730621e+00 2.30 1.646804871e+00 1.646804871e+00 2.32 9.283935852e-01 9.283935852e-01 2.34 2.672303768e-01 2.672303768e-01 2.36 -3.406945559e-01 -3.406945559e-01 2.38 -8.991445054e-01 -8.991445054e-01 2.40 -1.411631281e+00 -1.411631281e+00 2.42 -1.881405851e+00 -1.881405851e+00 2.44 -2.311453996e+00 -2.311453996e+00 2.46 -2.704502812e+00 -2.704502812e+00 2.48 -3.063039596e+00 -3.063039596e+00 2.50 -3.389340815e+00 -3.389340815e+00 2.52 -3.685456834e+00 -3.685456834e+00 2.54 -3.953319625e+00 -3.953319625e+00 2.56 -4.194764795e+00 -4.194764795e+00 2.58 -4.411624454e+00 -4.411624454e+00 2.60 -4.605751407e+00 -4.605751407e+00 2.62 -4.778866780e+00 -4.778866780e+00 2.64 -4.932553230e+00 -4.932553230e+00 2.66 -5.068246725e+00 -5.068246725e+00 2.68 -5.187186541e+00 -5.187186541e+00 2.70 -5.290211870e+00 -5.290211870e+00 2.72 -5.377795550e+00 -5.377795550e+00 2.74 -5.450357808e+00 -5.450357808e+00 2.76 -5.508354649e+00 -5.508354649e+00 2.78 -5.552270992e+00 -5.552270992e+00 2.80 -5.582615847e+00 -5.582615847e+00 2.82 -5.599919371e+00 -5.599919371e+00 2.84 -5.604732141e+00 -5.604732141e+00 2.86 -5.597626896e+00 -5.597626896e+00 2.88 -5.579202514e+00 -5.579202514e+00 2.90 -5.550089366e+00 -5.550089366e+00 2.92 -5.510954598e+00 -5.510954598e+00 2.94 -5.462505512e+00 -5.462505512e+00 2.96 -5.405489227e+00 -5.405489227e+00 2.98 -5.340687140e+00 -5.340687140e+00 3.00 -5.268975295e+00 -5.268975295e+00 3.02 -5.191235614e+00 -5.191235614e+00 3.04 -5.108117585e+00 -5.108117585e+00 3.06 -5.020255077e+00 -5.020255077e+00 3.08 -4.928248318e+00 -4.928248318e+00 3.10 -4.832642781e+00 -4.832642781e+00 3.12 -4.733915167e+00 -4.733915167e+00 3.14 -4.632467948e+00 -4.632467948e+00 3.16 -4.528630594e+00 -4.528630594e+00 3.18 -4.422657839e+00 -4.422657839e+00 3.20 -4.314756340e+00 -4.314756340e+00 3.22 -4.205110052e+00 -4.205110052e+00 3.24 -4.093898213e+00 -4.093898213e+00 3.26 -3.981310894e+00 -3.981310894e+00 3.28 -3.867560534e+00 -3.867560534e+00 3.30 -3.752888606e+00 -3.752888606e+00 3.32 -3.637567280e+00 -3.637567280e+00 3.34 -3.521896672e+00 -3.521896672e+00 3.36 -3.406198677e+00 -3.406198677e+00 3.38 -3.290808653e+00 -3.290808653e+00 3.40 -3.176066172e+00 -3.176066172e+00 3.42 -3.062305779e+00 -3.062305779e+00 3.44 -2.949848388e+00 -2.949848388e+00 3.46 -2.838993570e+00 -2.838993570e+00 3.48 -2.730012826e+00 -2.730012826e+00 3.50 -2.623143867e+00 -2.623143867e+00 3.52 -2.518586031e+00 -2.518586031e+00 3.54 -2.416497099e+00 -2.416497099e+00 3.56 -2.316991859e+00 -2.316991859e+00 3.58 -2.220142763e+00 -2.220142763e+00 3.60 -2.125982867e+00 -2.125982867e+00 3.62 -2.034511019e+00 -2.034511019e+00 3.64 -1.945699023e+00 -1.945699023e+00 3.66 -1.859500206e+00 -1.859500206e+00 3.68 -1.775858694e+00 -1.775858694e+00 3.70 -1.694718579e+00 -1.694718579e+00 3.72 -1.616032154e+00 -1.616032154e+00 3.74 -1.539766517e+00 -1.539766517e+00 3.76 -1.465907937e+00 -1.465907937e+00 3.78 -1.394463653e+00 -1.394463653e+00 3.80 -1.325460989e+00 -1.325460989e+00 3.82 -1.258943953e+00 -1.258943953e+00 3.84 -1.194967753e+00 -1.194967753e+00 3.86 -1.133591876e+00 -1.133591876e+00 3.88 -1.074872527e+00 -1.074872527e+00 3.90 -1.018855245e+00 -1.018855245e+00 3.92 -9.655684739e-01 -9.655684739e-01 3.94 -9.150186595e-01 -9.150186595e-01 3.96 -8.671872540e-01 -8.671872540e-01 3.98 -8.220297288e-01 -8.220297288e-01 4.00 -7.794764715e-01 -7.794764715e-01 4.02 -7.394352665e-01 -7.394352665e-01 4.04 -7.017949459e-01 -7.017949459e-01 4.06 -6.664297655e-01 -6.664297655e-01 4.08 -6.332040841e-01 -6.332040841e-01 4.10 -6.019769860e-01 -6.019769860e-01 4.12 -5.726065928e-01 -5.726065928e-01 4.14 -5.449538422e-01 -5.449538422e-01 4.16 -5.188856736e-01 -5.188856736e-01 4.18 -4.942775289e-01 -4.942775289e-01 4.20 -4.710151664e-01 -4.710151664e-01 4.22 -4.489957905e-01 -4.489957905e-01 4.24 -4.281285164e-01 -4.281285164e-01 4.26 -4.083342024e-01 -4.083342024e-01 4.28 -3.895447018e-01 -3.895447018e-01 4.30 -3.717016142e-01 -3.717016142e-01 4.32 -3.547546511e-01 -3.547546511e-01 4.34 -3.386597609e-01 -3.386597609e-01 4.36 -3.233771872e-01 -3.233771872e-01 4.38 -3.088696339e-01 -3.088696339e-01 4.40 -2.951006944e-01 -2.951006944e-01 4.42 -2.820336584e-01 -2.820336584e-01 4.44 -2.696307522e-01 -2.696307522e-01 4.46 -2.578528047e-01 -2.578528047e-01 4.48 -2.466592914e-01 -2.466592914e-01 4.50 -2.360086579e-01 -2.360086579e-01 4.52 -2.258586843e-01 -2.258586843e-01 4.54 -2.161669645e-01 -2.161669645e-01 4.56 -2.068924922e-01 -2.068924922e-01 4.58 -1.979953035e-01 -1.979953035e-01 4.60 -1.894369214e-01 -1.894369214e-01 4.62 -1.811807856e-01 -1.811807856e-01 4.64 -1.731925803e-01 -1.731925803e-01 4.66 -1.654404840e-01 -1.654404840e-01 4.68 -1.578953742e-01 -1.578953742e-01 4.70 -1.505310107e-01 -1.505310107e-01 4.72 -1.433242211e-01 -1.433242211e-01 4.74 -1.362551041e-01 -1.362551041e-01 4.76 -1.293072541e-01 -1.293072541e-01 4.78 -1.224680057e-01 -1.224680057e-01 4.80 -1.157286808e-01 -1.157286808e-01 4.82 -1.090848220e-01 -1.090848220e-01 4.84 -1.025363611e-01 -1.025363611e-01 4.86 -9.608770594e-02 -9.608770594e-02 4.88 -8.974768442e-02 -8.974768442e-02 4.90 -8.352931316e-02 -8.352931316e-02 4.92 -7.744935861e-02 -7.744935861e-02 4.94 -7.152767636e-02 -7.152767636e-02 4.96 -6.578633698e-02 -6.578633698e-02 4.98 -6.024857312e-02 -6.024857312e-02 5.00 -5.493760817e-02 -5.493760817e-02 5.02 -4.987544871e-02 -4.987544871e-02 5.04 -4.508172986e-02 -4.508172986e-02 5.06 -4.057270885e-02 -4.057270885e-02 5.08 -3.636048838e-02 -3.636048838e-02 5.10 -3.245251616e-02 -3.245251616e-02 5.12 -2.885139052e-02 -2.885139052e-02 5.14 -2.555495154e-02 -2.555495154e-02 5.16 -2.255662813e-02 -2.255662813e-02 5.18 -1.984598671e-02 -1.984598671e-02 5.20 -1.740938131e-02 -1.740938131e-02 5.22 -1.523037978e-02 -1.523037978e-02 5.24 -1.329139513e-02 -1.329139513e-02 5.26 -1.157391706e-02 -1.157391706e-02 5.28 -1.005895604e-02 -1.005895604e-02 5.30 -8.727605916e-03 -8.727605916e-03 5.32 -7.561488754e-03 -7.561488754e-03 5.34 -6.543086279e-03 -6.543086279e-03 5.36 -5.655968927e-03 -5.655968927e-03 5.38 -4.884937122e-03 -4.884937122e-03 5.40 -4.216090722e-03 -4.216090722e-03 5.42 -3.636842225e-03 -3.636842225e-03 5.44 -3.135888009e-03 -3.135888009e-03 5.46 -2.703149914e-03 -2.703149914e-03 5.48 -2.329697368e-03 -2.329697368e-03 5.50 -2.007658173e-03 -2.007658173e-03 5.52 -1.730124184e-03 -1.730124184e-03 5.54 -1.491056456e-03 -1.491056456e-03 5.56 -1.285193101e-03 -1.285193101e-03 5.58 -1.107962009e-03 -1.107962009e-03 5.60 -9.553997287e-04 -9.553997287e-04 5.62 -8.240772235e-04 -8.240772235e-04 5.64 -7.110326989e-04 -7.110326989e-04 5.66 -6.137114318e-04 -6.137114318e-04 5.68 -5.299122896e-04 -5.299122896e-04 5.70 -4.577405073e-04 -4.577405073e-04 5.72 -3.955662155e-04 -3.955662155e-04 5.74 -3.419881838e-04 -3.419881838e-04 5.76 -2.958022417e-04 -2.958022417e-04 5.78 -2.559738624e-04 -2.559738624e-04 5.80 -2.216144206e-04 -2.216144206e-04 5.82 -1.919606791e-04 -1.919606791e-04 5.84 -1.663570961e-04 -1.663570961e-04 5.86 -1.442405886e-04 -1.442405886e-04 5.88 -1.251274263e-04 -1.251274263e-04 5.90 -1.086019702e-04 -1.086019702e-04 5.92 -9.430700353e-05 -9.430700353e-05 5.94 -8.193543416e-05 -8.193543416e-05 5.96 -7.122317854e-05 -7.122317854e-05 5.98 -6.194305997e-05 -6.194305997e-05 6.00 -5.389957821e-05 -5.389957821e-05