# 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 = Ag2AuMg # 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 3.212816189e+02 3.212816189e+02 1.30 2.974522245e+02 2.974522245e+02 1.32 2.754181768e+02 2.754181768e+02 1.34 2.550338416e+02 2.550338416e+02 1.36 2.361670758e+02 2.361670758e+02 1.38 2.186978692e+02 2.186978692e+02 1.40 2.025165345e+02 2.025165345e+02 1.42 1.875221126e+02 1.875221126e+02 1.44 1.736214035e+02 1.736214035e+02 1.46 1.607286397e+02 1.607286397e+02 1.48 1.487655091e+02 1.487655091e+02 1.50 1.376610257e+02 1.376610257e+02 1.52 1.273508728e+02 1.273508728e+02 1.54 1.177763451e+02 1.177763451e+02 1.56 1.088833162e+02 1.088833162e+02 1.58 1.006215556e+02 1.006215556e+02 1.60 9.294439741e+01 9.294439741e+01 1.62 8.580859793e+01 8.580859793e+01 1.64 7.918252360e+01 7.918252360e+01 1.66 7.303562913e+01 7.303562913e+01 1.68 6.733468583e+01 6.733468583e+01 1.70 6.204734067e+01 6.204734067e+01 1.72 5.714316091e+01 5.714316091e+01 1.74 5.259414174e+01 5.259414174e+01 1.76 4.837451334e+01 4.837451334e+01 1.78 4.446053005e+01 4.446053005e+01 1.80 4.083026933e+01 4.083026933e+01 1.82 3.746346728e+01 3.746346728e+01 1.84 3.434138152e+01 3.434138152e+01 1.86 3.144666385e+01 3.144666385e+01 1.88 2.876322000e+01 2.876322000e+01 1.90 2.627606748e+01 2.627606748e+01 1.92 2.397120707e+01 2.397120707e+01 1.94 2.183553709e+01 2.183553709e+01 1.96 1.985681785e+01 1.985681785e+01 1.98 1.802367476e+01 1.802367476e+01 2.00 1.632560278e+01 1.632560278e+01 2.02 1.475293999e+01 1.475293999e+01 2.04 1.329680506e+01 1.329680506e+01 2.06 1.194901215e+01 1.194901215e+01 2.08 1.070198263e+01 1.070198263e+01 2.10 9.548667776e+00 9.548667776e+00 2.12 8.482491457e+00 8.482491457e+00 2.14 7.497310508e+00 7.497310508e+00 2.16 6.587389373e+00 6.587389373e+00 2.18 5.747381874e+00 5.747381874e+00 2.20 4.972317659e+00 4.972317659e+00 2.22 4.257588528e+00 4.257588528e+00 2.24 3.598934632e+00 3.598934632e+00 2.26 2.992427998e+00 2.992427998e+00 2.28 2.434452255e+00 2.434452255e+00 2.30 1.921678274e+00 1.921678274e+00 2.32 1.451035450e+00 1.451035450e+00 2.34 1.019682987e+00 1.019682987e+00 2.36 6.249798125e-01 6.249798125e-01 2.38 2.644580096e-01 2.644580096e-01 2.40 -6.420034627e-02 -6.420034627e-02 2.42 -3.631828241e-01 -3.631828241e-01 2.44 -6.345617522e-01 -6.345617522e-01 2.46 -8.803064789e-01 -8.803064789e-01 2.48 -1.102291566e+00 -1.102291566e+00 2.50 -1.302301728e+00 -1.302301728e+00 2.52 -1.482034408e+00 -1.482034408e+00 2.54 -1.643101691e+00 -1.643101691e+00 2.56 -1.787032926e+00 -1.787032926e+00 2.58 -1.915327482e+00 -1.915327482e+00 2.60 -2.029378426e+00 -2.029378426e+00 2.62 -2.130381415e+00 -2.130381415e+00 2.64 -2.219460837e+00 -2.219460837e+00 2.66 -2.297653489e+00 -2.297653489e+00 2.68 -2.365894444e+00 -2.365894444e+00 2.70 -2.425010142e+00 -2.425010142e+00 2.72 -2.475722014e+00 -2.475722014e+00 2.74 -2.518655235e+00 -2.518655235e+00 2.76 -2.554353815e+00 -2.554353815e+00 2.78 -2.583309541e+00 -2.583309541e+00 2.80 -2.606153338e+00 -2.606153338e+00 2.82 -2.623224216e+00 -2.623224216e+00 2.84 -2.634716804e+00 -2.634716804e+00 2.86 -2.640849818e+00 -2.640849818e+00 2.88 -2.641860959e+00 -2.641860959e+00 2.90 -2.638002962e+00 -2.638002962e+00 2.92 -2.629541165e+00 -2.629541165e+00 2.94 -2.616752788e+00 -2.616752788e+00 2.96 -2.599933263e+00 -2.599933263e+00 2.98 -2.579404908e+00 -2.579404908e+00 3.00 -2.555503944e+00 -2.555503944e+00 3.02 -2.528578780e+00 -2.528578780e+00 3.04 -2.498987833e+00 -2.498987833e+00 3.06 -2.467094672e+00 -2.467094672e+00 3.08 -2.433257808e+00 -2.433257808e+00 3.10 -2.397820202e+00 -2.397820202e+00 3.12 -2.361097380e+00 -2.361097380e+00 3.14 -2.323368840e+00 -2.323368840e+00 3.16 -2.284871566e+00 -2.284871566e+00 3.18 -2.245809680e+00 -2.245809680e+00 3.20 -2.206345997e+00 -2.206345997e+00 3.22 -2.166585196e+00 -2.166585196e+00 3.24 -2.126609816e+00 -2.126609816e+00 3.26 -2.086487591e+00 -2.086487591e+00 3.28 -2.046277243e+00 -2.046277243e+00 3.30 -2.006032803e+00 -2.006032803e+00 3.32 -1.965806326e+00 -1.965806326e+00 3.34 -1.925648457e+00 -1.925648457e+00 3.36 -1.885593215e+00 -1.885593215e+00 3.38 -1.845660686e+00 -1.845660686e+00 3.40 -1.805875955e+00 -1.805875955e+00 3.42 -1.766268678e+00 -1.766268678e+00 3.44 -1.726871602e+00 -1.726871602e+00 3.46 -1.687719645e+00 -1.687719645e+00 3.48 -1.648848874e+00 -1.648848874e+00 3.50 -1.610295588e+00 -1.610295588e+00 3.52 -1.572095453e+00 -1.572095453e+00 3.54 -1.534282710e+00 -1.534282710e+00 3.56 -1.496889463e+00 -1.496889463e+00 3.58 -1.459945090e+00 -1.459945090e+00 3.60 -1.423475772e+00 -1.423475772e+00 3.62 -1.387504159e+00 -1.387504159e+00 3.64 -1.352049173e+00 -1.352049173e+00 3.66 -1.317125940e+00 -1.317125940e+00 3.68 -1.282745857e+00 -1.282745857e+00 3.70 -1.248916788e+00 -1.248916788e+00 3.72 -1.215643370e+00 -1.215643370e+00 3.74 -1.182927435e+00 -1.182927435e+00 3.76 -1.150768520e+00 -1.150768520e+00 3.78 -1.119164414e+00 -1.119164414e+00 3.80 -1.088111738e+00 -1.088111738e+00 3.82 -1.057606456e+00 -1.057606456e+00 3.84 -1.027644309e+00 -1.027644309e+00 3.86 -9.982210879e-01 -9.982210879e-01 3.88 -9.693327495e-01 -9.693327495e-01 3.90 -9.409753588e-01 -9.409753588e-01 3.92 -9.131448050e-01 -9.131448050e-01 3.94 -8.858369462e-01 -8.858369462e-01 3.96 -8.590466859e-01 -8.590466859e-01 3.98 -8.327682059e-01 -8.327682059e-01 4.00 -8.069947088e-01 -8.069947088e-01 4.02 -7.817184014e-01 -7.817184014e-01 4.04 -7.569306044e-01 -7.569306044e-01 4.06 -7.326219889e-01 -7.326219889e-01 4.08 -7.087829362e-01 -7.087829362e-01 4.10 -6.854037301e-01 -6.854037301e-01 4.12 -6.624763269e-01 -6.624763269e-01 4.14 -6.399931403e-01 -6.399931403e-01 4.16 -6.179490912e-01 -6.179490912e-01 4.18 -5.963419787e-01 -5.963419787e-01 4.20 -5.751731425e-01 -5.751731425e-01 4.22 -5.544479786e-01 -5.544479786e-01 4.24 -5.341762129e-01 -5.341762129e-01 4.26 -5.143718415e-01 -5.143718415e-01 4.28 -4.950526675e-01 -4.950526675e-01 4.30 -4.762394024e-01 -4.762394024e-01 4.32 -4.579543563e-01 -4.579543563e-01 4.34 -4.402198089e-01 -4.402198089e-01 4.36 -4.230562081e-01 -4.230562081e-01 4.38 -4.064803855e-01 -4.064803855e-01 4.40 -3.905039867e-01 -3.905039867e-01 4.42 -3.751322842e-01 -3.751322842e-01 4.44 -3.603634876e-01 -3.603634876e-01 4.46 -3.461885877e-01 -3.461885877e-01 4.48 -3.325917010e-01 -3.325917010e-01 4.50 -3.195508196e-01 -3.195508196e-01 4.52 -3.070388408e-01 -3.070388408e-01 4.54 -2.950247399e-01 -2.950247399e-01 4.56 -2.834747672e-01 -2.834747672e-01 4.58 -2.723535764e-01 -2.723535764e-01 4.60 -2.616252271e-01 -2.616252271e-01 4.62 -2.512540338e-01 -2.512540338e-01 4.64 -2.412052633e-01 -2.412052633e-01 4.66 -2.314456971e-01 -2.314456971e-01 4.68 -2.219440887e-01 -2.219440887e-01 4.70 -2.126715471e-01 -2.126715471e-01 4.72 -2.036018780e-01 -2.036018780e-01 4.74 -1.947119057e-01 -1.947119057e-01 4.76 -1.859817953e-01 -1.859817953e-01 4.78 -1.773953782e-01 -1.773953782e-01 4.80 -1.689402831e-01 -1.689402831e-01 4.82 -1.606090639e-01 -1.606090639e-01 4.84 -1.523981819e-01 -1.523981819e-01 4.86 -1.443090920e-01 -1.443090920e-01 4.88 -1.363480668e-01 -1.363480668e-01 4.90 -1.285260912e-01 -1.285260912e-01 4.92 -1.208585490e-01 -1.208585490e-01 4.94 -1.133646753e-01 -1.133646753e-01 4.96 -1.060667680e-01 -1.060667680e-01 4.98 -9.898917834e-02 -9.898917834e-02 5.00 -9.215712538e-02 -9.215712538e-02 5.02 -8.559541096e-02 -8.559541096e-02 5.04 -7.932712525e-02 -7.932712525e-02 5.06 -7.337244480e-02 -7.337244480e-02 5.08 -6.774761986e-02 -6.774761986e-02 5.10 -6.246422109e-02 -6.246422109e-02 5.12 -5.752868853e-02 -5.752868853e-02 5.14 -5.294222560e-02 -5.294222560e-02 5.16 -4.870098647e-02 -4.870098647e-02 5.18 -4.479652103e-02 -4.479652103e-02 5.20 -4.121609868e-02 -4.121609868e-02 5.22 -3.794356591e-02 -3.794356591e-02 5.24 -3.496144279e-02 -3.496144279e-02 5.26 -3.225046394e-02 -3.225046394e-02 5.28 -2.979021221e-02 -2.979021221e-02 5.30 -2.756004019e-02 -2.756004019e-02 5.32 -2.553964689e-02 -2.553964689e-02 5.34 -2.370941216e-02 -2.370941216e-02 5.36 -2.205074126e-02 -2.205074126e-02 5.38 -2.054629637e-02 -2.054629637e-02 5.40 -1.918013102e-02 -1.918013102e-02 5.42 -1.793771923e-02 -1.793771923e-02 5.44 -1.680593693e-02 -1.680593693e-02 5.46 -1.577312510e-02 -1.577312510e-02 5.48 -1.482891369e-02 -1.482891369e-02 5.50 -1.396410629e-02 -1.396410629e-02 5.52 -1.317055977e-02 -1.317055977e-02 5.54 -1.244106135e-02 -1.244106135e-02 5.56 -1.176921035e-02 -1.176921035e-02 5.58 -1.114930920e-02 -1.114930920e-02 5.60 -1.057626705e-02 -1.057626705e-02 5.62 -1.004551699e-02 -1.004551699e-02 5.64 -9.552947025e-03 -9.552947025e-03 5.66 -9.094843472e-03 -9.094843472e-03 5.68 -8.667844965e-03 -8.667844965e-03 5.70 -8.268905070e-03 -8.268905070e-03 5.72 -7.895261400e-03 -7.895261400e-03 5.74 -7.544409494e-03 -7.544409494e-03 5.76 -7.214080025e-03 -7.214080025e-03 5.78 -6.902218353e-03 -6.902218353e-03 5.80 -6.606965724e-03 -6.606965724e-03 5.82 -6.326641787e-03 -6.326641787e-03 5.84 -6.059728261e-03 -6.059728261e-03 5.86 -5.804853734e-03 -5.804853734e-03 5.88 -5.560779696e-03 -5.560779696e-03 5.90 -5.326387880e-03 -5.326387880e-03 5.92 -5.100669051e-03 -5.100669051e-03 5.94 -4.882713322e-03 -4.882713322e-03 5.96 -4.671702079e-03 -4.671702079e-03 5.98 -4.466901543e-03 -4.466901543e-03 6.00 -4.267657967e-03 -4.267657967e-03