# 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 = Ag2AlMg # 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 2.228694982e+02 2.228694982e+02 1.30 2.066409550e+02 2.066409550e+02 1.32 1.916205128e+02 1.916205128e+02 1.34 1.777106138e+02 1.777106138e+02 1.36 1.648226659e+02 1.648226659e+02 1.38 1.528770193e+02 1.528770193e+02 1.40 1.418015114e+02 1.418015114e+02 1.42 1.315294450e+02 1.315294450e+02 1.44 1.219980096e+02 1.219980096e+02 1.46 1.131478539e+02 1.131478539e+02 1.48 1.049239548e+02 1.049239548e+02 1.50 9.727690615e+01 9.727690615e+01 1.52 9.016332683e+01 9.016332683e+01 1.54 8.354499003e+01 8.354499003e+01 1.56 7.738740573e+01 7.738740573e+01 1.58 7.165869118e+01 7.165869118e+01 1.60 6.633077634e+01 6.633077634e+01 1.62 6.137707418e+01 6.137707418e+01 1.64 5.677235764e+01 5.677235764e+01 1.66 5.249150456e+01 5.249150456e+01 1.68 4.851053176e+01 4.851053176e+01 1.70 4.480718848e+01 4.480718848e+01 1.72 4.136111801e+01 4.136111801e+01 1.74 3.815383756e+01 3.815383756e+01 1.76 3.516852790e+01 3.516852790e+01 1.78 3.238978265e+01 3.238978265e+01 1.80 2.980344319e+01 2.980344319e+01 1.82 2.739651985e+01 2.739651985e+01 1.84 2.515710970e+01 2.515710970e+01 1.86 2.307425436e+01 2.307425436e+01 1.88 2.113773384e+01 2.113773384e+01 1.90 1.933784878e+01 1.933784878e+01 1.92 1.766525034e+01 1.766525034e+01 1.94 1.611087618e+01 1.611087618e+01 1.96 1.466601346e+01 1.466601346e+01 1.98 1.332245485e+01 1.332245485e+01 2.00 1.207266325e+01 1.207266325e+01 2.02 1.090986638e+01 1.090986638e+01 2.04 9.828048905e+00 9.828048905e+00 2.06 8.821854826e+00 8.821854826e+00 2.08 7.886441280e+00 7.886441280e+00 2.10 7.017332421e+00 7.017332421e+00 2.12 6.210309892e+00 6.210309892e+00 2.14 5.461352347e+00 5.461352347e+00 2.16 4.766618675e+00 4.766618675e+00 2.18 4.122458324e+00 4.122458324e+00 2.20 3.525434634e+00 3.525434634e+00 2.22 2.972346193e+00 2.972346193e+00 2.24 2.460239986e+00 2.460239986e+00 2.26 1.986412401e+00 1.986412401e+00 2.28 1.548398614e+00 1.548398614e+00 2.30 1.143954878e+00 1.143954878e+00 2.32 7.710336236e-01 7.710336236e-01 2.34 4.277582636e-01 4.277582636e-01 2.36 1.123947604e-01 1.123947604e-01 2.38 -1.766756084e-01 -1.766756084e-01 2.40 -4.409827849e-01 -4.409827849e-01 2.42 -6.819929804e-01 -6.819929804e-01 2.44 -9.011296556e-01 -9.011296556e-01 2.46 -1.099790107e+00 -1.099790107e+00 2.48 -1.279354718e+00 -1.279354718e+00 2.50 -1.441189081e+00 -1.441189081e+00 2.52 -1.586640733e+00 -1.586640733e+00 2.54 -1.717034021e+00 -1.717034021e+00 2.56 -1.833665969e+00 -1.833665969e+00 2.58 -1.937802558e+00 -1.937802558e+00 2.60 -2.031029797e+00 -2.031029797e+00 2.62 -2.114979783e+00 -2.114979783e+00 2.64 -2.190420583e+00 -2.190420583e+00 2.66 -2.258048460e+00 -2.258048460e+00 2.68 -2.318474418e+00 -2.318474418e+00 2.70 -2.372207395e+00 -2.372207395e+00 2.72 -2.419655622e+00 -2.419655622e+00 2.74 -2.461142625e+00 -2.461142625e+00 2.76 -2.497078755e+00 -2.497078755e+00 2.78 -2.527689770e+00 -2.527689770e+00 2.80 -2.553025131e+00 -2.553025131e+00 2.82 -2.573162693e+00 -2.573162693e+00 2.84 -2.588207126e+00 -2.588207126e+00 2.86 -2.598286225e+00 -2.598286225e+00 2.88 -2.603547382e+00 -2.603547382e+00 2.90 -2.604155230e+00 -2.604155230e+00 2.92 -2.600291358e+00 -2.600291358e+00 2.94 -2.592161038e+00 -2.592161038e+00 2.96 -2.580001357e+00 -2.580001357e+00 2.98 -2.564077077e+00 -2.564077077e+00 3.00 -2.544685392e+00 -2.544685392e+00 3.02 -2.522159400e+00 -2.522159400e+00 3.04 -2.496866480e+00 -2.496866480e+00 3.06 -2.469200905e+00 -2.469200905e+00 3.08 -2.439567887e+00 -2.439567887e+00 3.10 -2.408364829e+00 -2.408364829e+00 3.12 -2.375960318e+00 -2.375960318e+00 3.14 -2.342677456e+00 -2.342677456e+00 3.16 -2.308781789e+00 -2.308781789e+00 3.18 -2.274479091e+00 -2.274479091e+00 3.20 -2.239919190e+00 -2.239919190e+00 3.22 -2.205204959e+00 -2.205204959e+00 3.24 -2.170413036e+00 -2.170413036e+00 3.26 -2.135590985e+00 -2.135590985e+00 3.28 -2.100754337e+00 -2.100754337e+00 3.30 -2.065914083e+00 -2.065914083e+00 3.32 -2.031081405e+00 -2.031081405e+00 3.34 -1.996270262e+00 -1.996270262e+00 3.36 -1.961498439e+00 -1.961498439e+00 3.38 -1.926787650e+00 -1.926787650e+00 3.40 -1.892163124e+00 -1.892163124e+00 3.42 -1.857652424e+00 -1.857652424e+00 3.44 -1.823272919e+00 -1.823272919e+00 3.46 -1.789034999e+00 -1.789034999e+00 3.48 -1.754954108e+00 -1.754954108e+00 3.50 -1.721049792e+00 -1.721049792e+00 3.52 -1.687344394e+00 -1.687344394e+00 3.54 -1.653861806e+00 -1.653861806e+00 3.56 -1.620626308e+00 -1.620626308e+00 3.58 -1.587661545e+00 -1.587661545e+00 3.60 -1.554989641e+00 -1.554989641e+00 3.62 -1.522630484e+00 -1.522630484e+00 3.64 -1.490601183e+00 -1.490601183e+00 3.66 -1.458915685e+00 -1.458915685e+00 3.68 -1.427584569e+00 -1.427584569e+00 3.70 -1.396614996e+00 -1.396614996e+00 3.72 -1.366010824e+00 -1.366010824e+00 3.74 -1.335772865e+00 -1.335772865e+00 3.76 -1.305899277e+00 -1.305899277e+00 3.78 -1.276386058e+00 -1.276386058e+00 3.80 -1.247227593e+00 -1.247227593e+00 3.82 -1.218417208e+00 -1.218417208e+00 3.84 -1.189947679e+00 -1.189947679e+00 3.86 -1.161811619e+00 -1.161811619e+00 3.88 -1.134001738e+00 -1.134001738e+00 3.90 -1.106510926e+00 -1.106510926e+00 3.92 -1.079332101e+00 -1.079332101e+00 3.94 -1.052458484e+00 -1.052458484e+00 3.96 -1.025882700e+00 -1.025882700e+00 3.98 -9.995970552e-01 -9.995970552e-01 4.00 -9.735932569e-01 -9.735932569e-01 4.02 -9.478623542e-01 -9.478623542e-01 4.04 -9.223948082e-01 -9.223948082e-01 4.06 -8.971807178e-01 -8.971807178e-01 4.08 -8.722102261e-01 -8.722102261e-01 4.10 -8.474738430e-01 -8.474738430e-01 4.12 -8.229644396e-01 -8.229644396e-01 4.14 -7.986763869e-01 -7.986763869e-01 4.16 -7.746080429e-01 -7.746080429e-01 4.18 -7.507626556e-01 -7.507626556e-01 4.20 -7.271495945e-01 -7.271495945e-01 4.22 -7.037854101e-01 -7.037854101e-01 4.24 -6.806945475e-01 -6.806945475e-01 4.26 -6.579095313e-01 -6.579095313e-01 4.28 -6.354704685e-01 -6.354704685e-01 4.30 -6.134237739e-01 -6.134237739e-01 4.32 -5.918201244e-01 -5.918201244e-01 4.34 -5.707117618e-01 -5.707117618e-01 4.36 -5.501493822e-01 -5.501493822e-01 4.38 -5.301789319e-01 -5.301789319e-01 4.40 -5.108386639e-01 -5.108386639e-01 4.42 -4.921567708e-01 -4.921567708e-01 4.44 -4.741498246e-01 -4.741498246e-01 4.46 -4.568221224e-01 -4.568221224e-01 4.48 -4.401659108e-01 -4.401659108e-01 4.50 -4.241623509e-01 -4.241623509e-01 4.52 -4.087830194e-01 -4.087830194e-01 4.54 -3.939917215e-01 -3.939917215e-01 4.56 -3.797464069e-01 -3.797464069e-01 4.58 -3.660010255e-01 -3.660010255e-01 4.60 -3.527072131e-01 -3.527072131e-01 4.62 -3.398157520e-01 -3.398157520e-01 4.64 -3.272777973e-01 -3.272777973e-01 4.66 -3.150458911e-01 -3.150458911e-01 4.68 -3.030748073e-01 -3.030748073e-01 4.70 -2.913222775e-01 -2.913222775e-01 4.72 -2.797496496e-01 -2.797496496e-01 4.74 -2.683225188e-01 -2.683225188e-01 4.76 -2.570113631e-01 -2.570113631e-01 4.78 -2.457921930e-01 -2.457921930e-01 4.80 -2.346470105e-01 -2.346470105e-01 4.82 -2.235652865e-01 -2.235652865e-01 4.84 -2.125432216e-01 -2.125432216e-01 4.86 -2.015851106e-01 -2.015851106e-01 4.88 -1.907033349e-01 -1.907033349e-01 4.90 -1.799183097e-01 -1.799183097e-01 4.92 -1.692580710e-01 -1.692580710e-01 4.94 -1.587574489e-01 -1.587574489e-01 4.96 -1.484568154e-01 -1.484568154e-01 4.98 -1.384004334e-01 -1.384004334e-01 5.00 -1.286344880e-01 -1.286344880e-01 5.02 -1.192049252e-01 -1.192049252e-01 5.04 -1.101552577e-01 -1.101552577e-01 5.06 -1.015245082e-01 -1.015245082e-01 5.08 -9.334546217e-02 -9.334546217e-02 5.10 -8.564334484e-02 -8.564334484e-02 5.12 -7.843500181e-02 -7.843500181e-02 5.14 -7.172864072e-02 -7.172864072e-02 5.16 -6.552406414e-02 -6.552406414e-02 5.18 -5.981333349e-02 -5.981333349e-02 5.20 -5.458149437e-02 -5.458149437e-02 5.22 -4.980770287e-02 -4.980770287e-02 5.24 -4.546796107e-02 -4.546796107e-02 5.26 -4.153510699e-02 -4.153510699e-02 5.28 -3.797984346e-02 -3.797984346e-02 5.30 -3.477209720e-02 -3.477209720e-02 5.32 -3.188193321e-02 -3.188193321e-02 5.34 -2.928014714e-02 -2.928014714e-02 5.36 -2.693882722e-02 -2.693882722e-02 5.38 -2.483174480e-02 -2.483174480e-02 5.40 -2.293459738e-02 -2.293459738e-02 5.42 -2.122512927e-02 -2.122512927e-02 5.44 -1.968315489e-02 -1.968315489e-02 5.46 -1.829050811e-02 -1.829050811e-02 5.48 -1.703093822e-02 -1.703093822e-02 5.50 -1.588989194e-02 -1.588989194e-02 5.52 -1.485448322e-02 -1.485448322e-02 5.54 -1.391335207e-02 -1.391335207e-02 5.56 -1.305641321e-02 -1.305641321e-02 5.58 -1.227470615e-02 -1.227470615e-02 5.60 -1.156025797e-02 -1.156025797e-02 5.62 -1.090596160e-02 -1.090596160e-02 5.64 -1.030547003e-02 -1.030547003e-02 5.66 -9.753105899e-03 -9.753105899e-03 5.68 -9.243784697e-03 -9.243784697e-03 5.70 -8.772949504e-03 -8.772949504e-03 5.72 -8.336515120e-03 -8.336515120e-03 5.74 -7.930819601e-03 -7.930819601e-03 5.76 -7.552581593e-03 -7.552581593e-03 5.78 -7.198862205e-03 -7.198862205e-03 5.80 -6.867030567e-03 -6.867030567e-03 5.82 -6.554732490e-03 -6.554732490e-03 5.84 -6.259861892e-03 -6.259861892e-03 5.86 -5.980534822e-03 -5.980534822e-03 5.88 -5.715065982e-03 -5.715065982e-03 5.90 -5.461947726e-03 -5.461947726e-03 5.92 -5.219831525e-03 -5.219831525e-03 5.94 -4.987511856e-03 -4.987511856e-03 5.96 -4.763912519e-03 -4.763912519e-03 5.98 -4.548075279e-03 -4.548075279e-03 6.00 -4.339150785e-03 -4.339150785e-03