# 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 = AlMgZr2 # 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 3.374650772e+02 3.374650772e+02 1.30 3.143088394e+02 3.143088394e+02 1.32 2.927992401e+02 2.927992401e+02 1.34 2.728082577e+02 2.728082577e+02 1.36 2.542196873e+02 2.542196873e+02 1.38 2.369286778e+02 2.369286778e+02 1.40 2.208399033e+02 2.208399033e+02 1.42 2.058646579e+02 2.058646579e+02 1.44 1.919185948e+02 1.919185948e+02 1.46 1.789216345e+02 1.789216345e+02 1.48 1.667997111e+02 1.667997111e+02 1.50 1.554863769e+02 1.554863769e+02 1.52 1.449228730e+02 1.449228730e+02 1.54 1.350568352e+02 1.350568352e+02 1.56 1.258408244e+02 1.258408244e+02 1.58 1.172313957e+02 1.172313957e+02 1.60 1.091884481e+02 1.091884481e+02 1.62 1.016745133e+02 1.016745133e+02 1.64 9.465411251e+01 9.465411251e+01 1.66 8.809342111e+01 8.809342111e+01 1.68 8.196033648e+01 8.196033648e+01 1.70 7.622488667e+01 7.622488667e+01 1.72 7.085952578e+01 7.085952578e+01 1.74 6.583917227e+01 6.583917227e+01 1.76 6.114096331e+01 6.114096331e+01 1.78 5.674394047e+01 5.674394047e+01 1.80 5.262871498e+01 5.262871498e+01 1.82 4.877720556e+01 4.877720556e+01 1.84 4.517233131e+01 4.517233131e+01 1.86 4.179794069e+01 4.179794069e+01 1.88 3.863955392e+01 3.863955392e+01 1.90 3.568327811e+01 3.568327811e+01 1.92 3.291575537e+01 3.291575537e+01 1.94 3.032452470e+01 3.032452470e+01 1.96 2.789818028e+01 2.789818028e+01 1.98 2.562698407e+01 2.562698407e+01 2.00 2.350111707e+01 2.350111707e+01 2.02 2.151157651e+01 2.151157651e+01 2.04 1.965020227e+01 1.965020227e+01 2.06 1.790949029e+01 1.790949029e+01 2.08 1.628237694e+01 1.628237694e+01 2.10 1.476207714e+01 1.476207714e+01 2.12 1.334201772e+01 1.334201772e+01 2.14 1.201585201e+01 1.201585201e+01 2.16 1.077754023e+01 1.077754023e+01 2.18 9.621406439e+00 9.621406439e+00 2.20 8.542167382e+00 8.542167382e+00 2.22 7.534896982e+00 7.534896982e+00 2.24 6.594995613e+00 6.594995613e+00 2.26 5.718180271e+00 5.718180271e+00 2.28 4.900480786e+00 4.900480786e+00 2.30 4.138280775e+00 4.138280775e+00 2.32 3.428275012e+00 3.428275012e+00 2.34 2.767477247e+00 2.767477247e+00 2.36 2.153142901e+00 2.153142901e+00 2.38 1.582716228e+00 1.582716228e+00 2.40 1.053772480e+00 1.053772480e+00 2.42 5.639600409e-01 5.639600409e-01 2.44 1.109701934e-01 1.109701934e-01 2.46 -3.074905039e-01 -3.074905039e-01 2.48 -6.936967643e-01 -6.936967643e-01 2.50 -1.049882768e+00 -1.049882768e+00 2.52 -1.378208255e+00 -1.378208255e+00 2.54 -1.680723410e+00 -1.680723410e+00 2.56 -1.959342128e+00 -1.959342128e+00 2.58 -2.215829069e+00 -2.215829069e+00 2.60 -2.451800203e+00 -2.451800203e+00 2.62 -2.668727973e+00 -2.668727973e+00 2.64 -2.867966547e+00 -2.867966547e+00 2.66 -3.050735578e+00 -3.050735578e+00 2.68 -3.218213250e+00 -3.218213250e+00 2.70 -3.371446394e+00 -3.371446394e+00 2.72 -3.511225678e+00 -3.511225678e+00 2.74 -3.638293172e+00 -3.638293172e+00 2.76 -3.753350904e+00 -3.753350904e+00 2.78 -3.857061075e+00 -3.857061075e+00 2.80 -3.950059295e+00 -3.950059295e+00 2.82 -4.032935376e+00 -4.032935376e+00 2.84 -4.106246207e+00 -4.106246207e+00 2.86 -4.170399640e+00 -4.170399640e+00 2.88 -4.225648265e+00 -4.225648265e+00 2.90 -4.272267025e+00 -4.272267025e+00 2.92 -4.310560746e+00 -4.310560746e+00 2.94 -4.340859381e+00 -4.340859381e+00 2.96 -4.363514400e+00 -4.363514400e+00 2.98 -4.378895788e+00 -4.378895788e+00 3.00 -4.387389184e+00 -4.387389184e+00 3.02 -4.389392717e+00 -4.389392717e+00 3.04 -4.385308966e+00 -4.385308966e+00 3.06 -4.375558614e+00 -4.375558614e+00 3.08 -4.360546749e+00 -4.360546749e+00 3.10 -4.340678739e+00 -4.340678739e+00 3.12 -4.316466699e+00 -4.316466699e+00 3.14 -4.288819724e+00 -4.288819724e+00 3.16 -4.257960057e+00 -4.257960057e+00 3.18 -4.224042090e+00 -4.224042090e+00 3.20 -4.187242872e+00 -4.187242872e+00 3.22 -4.147756899e+00 -4.147756899e+00 3.24 -4.105791912e+00 -4.105791912e+00 3.26 -4.061566009e+00 -4.061566009e+00 3.28 -4.015305450e+00 -4.015305450e+00 3.30 -3.967242211e+00 -3.967242211e+00 3.32 -3.917615089e+00 -3.917615089e+00 3.34 -3.866661829e+00 -3.866661829e+00 3.36 -3.814603501e+00 -3.814603501e+00 3.38 -3.761637325e+00 -3.761637325e+00 3.40 -3.707930672e+00 -3.707930672e+00 3.42 -3.653627532e+00 -3.653627532e+00 3.44 -3.598839704e+00 -3.598839704e+00 3.46 -3.543659712e+00 -3.543659712e+00 3.48 -3.488164184e+00 -3.488164184e+00 3.50 -3.432418964e+00 -3.432418964e+00 3.52 -3.376483074e+00 -3.376483074e+00 3.54 -3.320411318e+00 -3.320411318e+00 3.56 -3.264255649e+00 -3.264255649e+00 3.58 -3.208065616e+00 -3.208065616e+00 3.60 -3.151888235e+00 -3.151888235e+00 3.62 -3.095767603e+00 -3.095767603e+00 3.64 -3.039744517e+00 -3.039744517e+00 3.66 -2.983856316e+00 -2.983856316e+00 3.68 -2.928137087e+00 -2.928137087e+00 3.70 -2.872618361e+00 -2.872618361e+00 3.72 -2.817330358e+00 -2.817330358e+00 3.74 -2.762303765e+00 -2.762303765e+00 3.76 -2.707571951e+00 -2.707571951e+00 3.78 -2.653173357e+00 -2.653173357e+00 3.80 -2.599153705e+00 -2.599153705e+00 3.82 -2.545567506e+00 -2.545567506e+00 3.84 -2.492478337e+00 -2.492478337e+00 3.86 -2.439957829e+00 -2.439957829e+00 3.88 -2.388093648e+00 -2.388093648e+00 3.90 -2.336958794e+00 -2.336958794e+00 3.92 -2.286610829e+00 -2.286610829e+00 3.94 -2.237108958e+00 -2.237108958e+00 3.96 -2.188487147e+00 -2.188487147e+00 3.98 -2.140767686e+00 -2.140767686e+00 4.00 -2.093956680e+00 -2.093956680e+00 4.02 -2.048045679e+00 -2.048045679e+00 4.04 -2.003014637e+00 -2.003014637e+00 4.06 -1.958835488e+00 -1.958835488e+00 4.08 -1.915472281e+00 -1.915472281e+00 4.10 -1.872868020e+00 -1.872868020e+00 4.12 -1.830984599e+00 -1.830984599e+00 4.14 -1.789769025e+00 -1.789769025e+00 4.16 -1.749182367e+00 -1.749182367e+00 4.18 -1.709192891e+00 -1.709192891e+00 4.20 -1.669776318e+00 -1.669776318e+00 4.22 -1.630915838e+00 -1.630915838e+00 4.24 -1.592601934e+00 -1.592601934e+00 4.26 -1.554832004e+00 -1.554832004e+00 4.28 -1.517609773e+00 -1.517609773e+00 4.30 -1.480944456e+00 -1.480944456e+00 4.32 -1.444849659e+00 -1.444849659e+00 4.34 -1.409342051e+00 -1.409342051e+00 4.36 -1.374439845e+00 -1.374439845e+00 4.38 -1.340161207e+00 -1.340161207e+00 4.40 -1.306522706e+00 -1.306522706e+00 4.42 -1.273537948e+00 -1.273537948e+00 4.44 -1.241216477e+00 -1.241216477e+00 4.46 -1.209563039e+00 -1.209563039e+00 4.48 -1.178577208e+00 -1.178577208e+00 4.50 -1.148253358e+00 -1.148253358e+00 4.52 -1.118580927e+00 -1.118580927e+00 4.54 -1.089544883e+00 -1.089544883e+00 4.56 -1.061126331e+00 -1.061126331e+00 4.58 -1.033303188e+00 -1.033303188e+00 4.60 -1.006050871e+00 -1.006050871e+00 4.62 -9.793429787e-01 -9.793429787e-01 4.64 -9.531519401e-01 -9.531519401e-01 4.66 -9.274496436e-01 -9.274496436e-01 4.68 -9.022080455e-01 -9.022080455e-01 4.70 -8.773997757e-01 -8.773997757e-01 4.72 -8.529987520e-01 -8.529987520e-01 4.74 -8.289808117e-01 -8.289808117e-01 4.76 -8.053243617e-01 -8.053243617e-01 4.78 -7.820110415e-01 -7.820110415e-01 4.80 -7.590202087e-01 -7.590202087e-01 4.82 -7.363552758e-01 -7.363552758e-01 4.84 -7.140039319e-01 -7.140039319e-01 4.86 -6.919667385e-01 -6.919667385e-01 4.88 -6.702499209e-01 -6.702499209e-01 4.90 -6.488653391e-01 -6.488653391e-01 4.92 -6.278301634e-01 -6.278301634e-01 4.94 -6.071662254e-01 -6.071662254e-01 4.96 -5.868990421e-01 -5.868990421e-01 4.98 -5.670565492e-01 -5.670565492e-01 5.00 -5.476676113e-01 -5.476676113e-01 5.02 -5.287604147e-01 -5.287604147e-01 5.04 -5.103608650e-01 -5.103608650e-01 5.06 -4.924911194e-01 -4.924911194e-01 5.08 -4.751683735e-01 -4.751683735e-01 5.10 -4.584039905e-01 -4.584039905e-01 5.12 -4.422030273e-01 -4.422030273e-01 5.14 -4.265641659e-01 -4.265641659e-01 5.16 -4.114800223e-01 -4.114800223e-01 5.18 -3.969377745e-01 -3.969377745e-01 5.20 -3.829200314e-01 -3.829200314e-01 5.22 -3.694058611e-01 -3.694058611e-01 5.24 -3.563718979e-01 -3.563718979e-01 5.26 -3.437934586e-01 -3.437934586e-01 5.28 -3.316456121e-01 -3.316456121e-01 5.30 -3.199041573e-01 -3.199041573e-01 5.32 -3.085464776e-01 -3.085464776e-01 5.34 -2.975522465e-01 -2.975522465e-01 5.36 -2.869039619e-01 -2.869039619e-01 5.38 -2.765872950e-01 -2.765872950e-01 5.40 -2.665912377e-01 -2.665912377e-01 5.42 -2.569080430e-01 -2.569080430e-01 5.44 -2.475329600e-01 -2.475329600e-01 5.46 -2.384637773e-01 -2.384637773e-01 5.48 -2.297002065e-01 -2.297002065e-01 5.50 -2.212431509e-01 -2.212431509e-01 5.52 -2.130939196e-01 -2.130939196e-01 5.54 -2.052534525e-01 -2.052534525e-01 5.56 -1.977216228e-01 -1.977216228e-01 5.58 -1.904966729e-01 -1.904966729e-01 5.60 -1.835748197e-01 -1.835748197e-01 5.62 -1.769500510e-01 -1.769500510e-01 5.64 -1.706141044e-01 -1.706141044e-01 5.66 -1.645566070e-01 -1.645566070e-01 5.68 -1.587653381e-01 -1.587653381e-01 5.70 -1.532265729e-01 -1.532265729e-01 5.72 -1.479254449e-01 -1.479254449e-01 5.74 -1.428461854e-01 -1.428461854e-01 5.76 -1.379728888e-01 -1.379728888e-01 5.78 -1.332896158e-01 -1.332896158e-01 5.80 -1.287805844e-01 -1.287805844e-01 5.82 -1.244303814e-01 -1.244303814e-01 5.84 -1.202241170e-01 -1.202241170e-01 5.86 -1.161475300e-01 -1.161475300e-01 5.88 -1.121870543e-01 -1.121870543e-01 5.90 -1.083298570e-01 -1.083298570e-01 5.92 -1.045638579e-01 -1.045638579e-01 5.94 -1.008777401e-01 -1.008777401e-01 5.96 -9.726096018e-02 -9.726096018e-02 5.98 -9.370376446e-02 -9.370376446e-02 6.00 -9.019721698e-02 -9.019721698e-02