# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-Co-Al--LAMMPS--ipr1 # composition = AlCo2Fe # 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 2025-07-01 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 6.002432564e+02 6.002432564e+02 1.00 5.564328674e+02 5.564328674e+02 1.02 5.146927778e+02 5.146927778e+02 1.04 4.751062357e+02 4.751062357e+02 1.06 4.377216124e+02 4.377216124e+02 1.08 4.025557649e+02 4.025557649e+02 1.10 3.695983346e+02 3.695983346e+02 1.12 3.388158656e+02 3.388158656e+02 1.14 3.101557078e+02 3.101557078e+02 1.16 2.835496654e+02 2.835496654e+02 1.18 2.589173386e+02 2.589173386e+02 1.20 2.361691473e+02 2.361691473e+02 1.22 2.152090197e+02 2.152090197e+02 1.24 1.959367479e+02 1.959367479e+02 1.26 1.782500135e+02 1.782500135e+02 1.28 1.620460953e+02 1.620460953e+02 1.30 1.472233176e+02 1.472233176e+02 1.32 1.336822205e+02 1.336822205e+02 1.34 1.213264832e+02 1.213264832e+02 1.36 1.100636367e+02 1.100636367e+02 1.38 9.980558488e+01 9.980558488e+01 1.40 9.046896485e+01 9.046896485e+01 1.42 8.197536907e+01 8.197536907e+01 1.44 7.425145000e+01 7.425145000e+01 1.46 6.722892469e+01 6.722892469e+01 1.48 6.084450813e+01 6.084450813e+01 1.50 5.503979414e+01 5.503979414e+01 1.52 4.976108082e+01 4.976108082e+01 1.54 4.495915931e+01 4.495915931e+01 1.56 4.058907851e+01 4.058907851e+01 1.58 3.660989468e+01 3.660989468e+01 1.60 3.298441221e+01 3.298441221e+01 1.62 2.967892239e+01 2.967892239e+01 1.64 2.666294450e+01 2.666294450e+01 1.66 2.390897270e+01 2.390897270e+01 1.68 2.139223220e+01 2.139223220e+01 1.70 1.909044628e+01 1.909044628e+01 1.72 1.698361558e+01 1.698361558e+01 1.74 1.505381097e+01 1.505381097e+01 1.76 1.328498021e+01 1.328498021e+01 1.78 1.166281308e+01 1.166281308e+01 1.80 1.017455076e+01 1.017455076e+01 1.82 8.808708821e+00 8.808708821e+00 1.84 7.554929630e+00 7.554929630e+00 1.86 6.403861650e+00 6.403861650e+00 1.88 5.347058578e+00 5.347058578e+00 1.90 4.376889890e+00 4.376889890e+00 1.92 3.486460971e+00 3.486460971e+00 1.94 2.669541676e+00 2.669541676e+00 1.96 1.920501771e+00 1.920501771e+00 1.98 1.234230457e+00 1.234230457e+00 2.00 6.060311515e-01 6.060311515e-01 2.02 3.156454306e-02 3.156454306e-02 2.04 -4.931735717e-01 -4.931735717e-01 2.06 -9.718261079e-01 -9.718261079e-01 2.08 -1.407741974e+00 -1.407741974e+00 2.10 -1.804031411e+00 -1.804031411e+00 2.12 -2.163583604e+00 -2.163583604e+00 2.14 -2.489082705e+00 -2.489082705e+00 2.16 -2.783022675e+00 -2.783022675e+00 2.18 -3.047720837e+00 -3.047720837e+00 2.20 -3.285329479e+00 -3.285329479e+00 2.22 -3.497848558e+00 -3.497848558e+00 2.24 -3.687137326e+00 -3.687137326e+00 2.26 -3.854924373e+00 -3.854924373e+00 2.28 -4.002816916e+00 -4.002816916e+00 2.30 -4.132309415e+00 -4.132309415e+00 2.32 -4.244791566e+00 -4.244791566e+00 2.34 -4.341555701e+00 -4.341555701e+00 2.36 -4.423803657e+00 -4.423803657e+00 2.38 -4.492653156e+00 -4.492653156e+00 2.40 -4.549143705e+00 -4.549143705e+00 2.42 -4.594242092e+00 -4.594242092e+00 2.44 -4.628847598e+00 -4.628847598e+00 2.46 -4.653805942e+00 -4.653805942e+00 2.48 -4.669917640e+00 -4.669917640e+00 2.50 -4.677925654e+00 -4.677925654e+00 2.52 -4.678518081e+00 -4.678518081e+00 2.54 -4.672332200e+00 -4.672332200e+00 2.56 -4.659958218e+00 -4.659958218e+00 2.58 -4.641945471e+00 -4.641945471e+00 2.60 -4.618823953e+00 -4.618823953e+00 2.62 -4.591092424e+00 -4.591092424e+00 2.64 -4.559209966e+00 -4.559209966e+00 2.66 -4.523598974e+00 -4.523598974e+00 2.68 -4.484647982e+00 -4.484647982e+00 2.70 -4.442714290e+00 -4.442714290e+00 2.72 -4.398126369e+00 -4.398126369e+00 2.74 -4.351186098e+00 -4.351186098e+00 2.76 -4.302170818e+00 -4.302170818e+00 2.78 -4.251335232e+00 -4.251335232e+00 2.80 -4.198913163e+00 -4.198913163e+00 2.82 -4.145119169e+00 -4.145119169e+00 2.84 -4.090150038e+00 -4.090150038e+00 2.86 -4.034186173e+00 -4.034186173e+00 2.88 -3.977392860e+00 -3.977392860e+00 2.90 -3.919921446e+00 -3.919921446e+00 2.92 -3.861910429e+00 -3.861910429e+00 2.94 -3.803486456e+00 -3.803486456e+00 2.96 -3.744765248e+00 -3.744765248e+00 2.98 -3.685852460e+00 -3.685852460e+00 3.00 -3.626844465e+00 -3.626844465e+00 3.02 -3.567791371e+00 -3.567791371e+00 3.04 -3.508298161e+00 -3.508298161e+00 3.06 -3.448233634e+00 -3.448233634e+00 3.08 -3.389650109e+00 -3.389650109e+00 3.10 -3.331366653e+00 -3.331366653e+00 3.12 -3.273411285e+00 -3.273411285e+00 3.14 -3.215832687e+00 -3.215832687e+00 3.16 -3.158674744e+00 -3.158674744e+00 3.18 -3.101976923e+00 -3.101976923e+00 3.20 -3.045774629e+00 -3.045774629e+00 3.22 -2.990099527e+00 -2.990099527e+00 3.24 -2.934979846e+00 -2.934979846e+00 3.26 -2.880440652e+00 -2.880440652e+00 3.28 -2.826504106e+00 -2.826504106e+00 3.30 -2.773189697e+00 -2.773189697e+00 3.32 -2.720514463e+00 -2.720514463e+00 3.34 -2.668493186e+00 -2.668493186e+00 3.36 -2.617138579e+00 -2.617138579e+00 3.38 -2.566461457e+00 -2.566461457e+00 3.40 -2.516470892e+00 -2.516470892e+00 3.42 -2.467174360e+00 -2.467174360e+00 3.44 -2.418577869e+00 -2.418577869e+00 3.46 -2.370686088e+00 -2.370686088e+00 3.48 -2.323502455e+00 -2.323502455e+00 3.50 -2.277029281e+00 -2.277029281e+00 3.52 -2.231267848e+00 -2.231267848e+00 3.54 -2.186218496e+00 -2.186218496e+00 3.56 -2.141880700e+00 -2.141880700e+00 3.58 -2.098253146e+00 -2.098253146e+00 3.60 -2.055333801e+00 -2.055333801e+00 3.62 -2.013119969e+00 -2.013119969e+00 3.64 -1.971608355e+00 -1.971608355e+00 3.66 -1.930795108e+00 -1.930795108e+00 3.68 -1.890675878e+00 -1.890675878e+00 3.70 -1.851245850e+00 -1.851245850e+00 3.72 -1.812499793e+00 -1.812499793e+00 3.74 -1.774432088e+00 -1.774432088e+00 3.76 -1.737036770e+00 -1.737036770e+00 3.78 -1.700307556e+00 -1.700307556e+00 3.80 -1.664237872e+00 -1.664237872e+00 3.82 -1.628820888e+00 -1.628820888e+00 3.84 -1.594049537e+00 -1.594049537e+00 3.86 -1.559916547e+00 -1.559916547e+00 3.88 -1.526414458e+00 -1.526414458e+00 3.90 -1.493535652e+00 -1.493535652e+00 3.92 -1.461272369e+00 -1.461272369e+00 3.94 -1.429616732e+00 -1.429616732e+00 3.96 -1.398560765e+00 -1.398560765e+00 3.98 -1.368096410e+00 -1.368096410e+00 4.00 -1.338215549e+00 -1.338215549e+00 4.02 -1.308910015e+00 -1.308910015e+00 4.04 -1.280171610e+00 -1.280171610e+00 4.06 -1.251992114e+00 -1.251992114e+00 4.08 -1.224363303e+00 -1.224363303e+00 4.10 -1.197276953e+00 -1.197276953e+00 4.12 -1.170724852e+00 -1.170724852e+00 4.14 -1.144698809e+00 -1.144698809e+00 4.16 -1.119190655e+00 -1.119190655e+00 4.18 -1.094192255e+00 -1.094192255e+00 4.20 -1.069695507e+00 -1.069695507e+00 4.22 -1.045692349e+00 -1.045692349e+00 4.24 -1.022174761e+00 -1.022174761e+00 4.26 -9.989097662e-01 -9.989097662e-01 4.28 -9.712509829e-01 -9.712509829e-01 4.30 -9.236804755e-01 -9.236804755e-01 4.32 -8.353950315e-01 -8.353950315e-01 4.34 -7.901218532e-01 -7.901218532e-01 4.36 -7.719152934e-01 -7.719152934e-01 4.38 -7.540848383e-01 -7.540848383e-01 4.40 -7.366232771e-01 -7.366232771e-01 4.42 -7.195234901e-01 -7.195234901e-01 4.44 -7.027784496e-01 -7.027784496e-01 4.46 -6.863812208e-01 -6.863812208e-01 4.48 -6.703249625e-01 -6.703249625e-01 4.50 -6.546029267e-01 -6.546029267e-01 4.52 -6.392084597e-01 -6.392084597e-01 4.54 -6.241350014e-01 -6.241350014e-01 4.56 -6.093760857e-01 -6.093760857e-01 4.58 -5.949253397e-01 -5.949253397e-01 4.60 -5.807764840e-01 -5.807764840e-01 4.62 -5.669233313e-01 -5.669233313e-01 4.64 -5.533597866e-01 -5.533597866e-01 4.66 -5.400798461e-01 -5.400798461e-01 4.68 -5.270775965e-01 -5.270775965e-01 4.70 -5.143472141e-01 -5.143472141e-01 4.72 -5.018829637e-01 -5.018829637e-01 4.74 -4.896791978e-01 -4.896791978e-01 4.76 -4.777303556e-01 -4.777303556e-01 4.78 -4.660309615e-01 -4.660309615e-01 4.80 -4.545756242e-01 -4.545756242e-01 4.82 -4.433590354e-01 -4.433590354e-01 4.84 -4.323759684e-01 -4.323759684e-01 4.86 -4.216212771e-01 -4.216212771e-01 4.88 -4.110898943e-01 -4.110898943e-01 4.90 -4.007768307e-01 -4.007768307e-01 4.92 -3.902989472e-01 -3.902989472e-01 4.94 -3.747560089e-01 -3.747560089e-01 4.96 -3.366674992e-01 -3.366674992e-01 4.98 -2.214513068e-01 -2.214513068e-01 5.00 -4.285402944e-22 -4.305434957e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00