# 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 = AgFePb2 # 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 3.420694885e+02 3.420694885e+02 1.30 3.180526840e+02 3.180526840e+02 1.32 2.957861337e+02 2.957861337e+02 1.34 2.751326860e+02 2.751326860e+02 1.36 2.559648629e+02 2.559648629e+02 1.38 2.381640583e+02 2.381640583e+02 1.40 2.216208863e+02 2.216208863e+02 1.42 2.062358852e+02 2.062358852e+02 1.44 1.919195413e+02 1.919195413e+02 1.46 1.785914020e+02 1.785914020e+02 1.48 1.661787231e+02 1.661787231e+02 1.50 1.546150796e+02 1.546150796e+02 1.52 1.438391383e+02 1.438391383e+02 1.54 1.337938085e+02 1.337938085e+02 1.56 1.244257460e+02 1.244257460e+02 1.58 1.156852124e+02 1.156852124e+02 1.60 1.075261110e+02 1.075261110e+02 1.62 9.990614136e+01 9.990614136e+01 1.64 9.278689821e+01 9.278689821e+01 1.66 8.613388103e+01 8.613388103e+01 1.68 7.991646725e+01 7.991646725e+01 1.70 7.411903777e+01 7.411903777e+01 1.72 6.872220902e+01 6.872220902e+01 1.74 6.370022101e+01 6.370022101e+01 1.76 5.902831667e+01 5.902831667e+01 1.78 5.468249514e+01 5.468249514e+01 1.80 5.063955957e+01 5.063955957e+01 1.82 4.687738652e+01 4.687738652e+01 1.84 4.337523576e+01 4.337523576e+01 1.86 4.011395240e+01 4.011395240e+01 1.88 3.707600957e+01 3.707600957e+01 1.90 3.424540009e+01 3.424540009e+01 1.92 3.160744709e+01 3.160744709e+01 1.94 2.914864366e+01 2.914864366e+01 1.96 2.685650704e+01 2.685650704e+01 1.98 2.471947756e+01 2.471947756e+01 2.00 2.272682874e+01 2.272682874e+01 2.02 2.086858874e+01 2.086858874e+01 2.04 1.913548002e+01 1.913548002e+01 2.06 1.751889001e+01 1.751889001e+01 2.08 1.601086804e+01 1.601086804e+01 2.10 1.460411396e+01 1.460411396e+01 2.12 1.329195406e+01 1.329195406e+01 2.14 1.206827801e+01 1.206827801e+01 2.16 1.092746192e+01 1.092746192e+01 2.18 9.864291674e+00 9.864291674e+00 2.20 8.873896281e+00 8.873896281e+00 2.22 7.951704413e+00 7.951704413e+00 2.24 7.093416896e+00 7.093416896e+00 2.26 6.294991051e+00 6.294991051e+00 2.28 5.552631495e+00 5.552631495e+00 2.30 4.862777888e+00 4.862777888e+00 2.32 4.222086980e+00 4.222086980e+00 2.34 3.627424173e+00 3.627424173e+00 2.36 3.075837742e+00 3.075837742e+00 2.38 2.564542497e+00 2.564542497e+00 2.40 2.090905355e+00 2.090905355e+00 2.42 1.652437430e+00 1.652437430e+00 2.44 1.246792335e+00 1.246792335e+00 2.46 8.717694729e-01 8.717694729e-01 2.48 5.253174308e-01 5.253174308e-01 2.50 2.055340298e-01 2.055340298e-01 2.52 -8.933895493e-02 -8.933895493e-02 2.54 -3.609260463e-01 -3.609260463e-01 2.56 -6.107315308e-01 -6.107315308e-01 2.58 -8.401540550e-01 -8.401540550e-01 2.60 -1.050500490e+00 -1.050500490e+00 2.62 -1.242996568e+00 -1.242996568e+00 2.64 -1.418799383e+00 -1.418799383e+00 2.66 -1.578995522e+00 -1.578995522e+00 2.68 -1.724607929e+00 -1.724607929e+00 2.70 -1.856595330e+00 -1.856595330e+00 2.72 -1.975855855e+00 -1.975855855e+00 2.74 -2.083221518e+00 -2.083221518e+00 2.76 -2.179465150e+00 -2.179465150e+00 2.78 -2.265307282e+00 -2.265307282e+00 2.80 -2.341422974e+00 -2.341422974e+00 2.82 -2.408444712e+00 -2.408444712e+00 2.84 -2.466975165e+00 -2.466975165e+00 2.86 -2.517683141e+00 -2.517683141e+00 2.88 -2.561039015e+00 -2.561039015e+00 2.90 -2.597418076e+00 -2.597418076e+00 2.92 -2.627131951e+00 -2.627131951e+00 2.94 -2.650494595e+00 -2.650494595e+00 2.96 -2.667833975e+00 -2.667833975e+00 2.98 -2.679486991e+00 -2.679486991e+00 3.00 -2.685795688e+00 -2.685795688e+00 3.02 -2.687109274e+00 -2.687109274e+00 3.04 -2.683777318e+00 -2.683777318e+00 3.06 -2.676145048e+00 -2.676145048e+00 3.08 -2.664560557e+00 -2.664560557e+00 3.10 -2.649423322e+00 -2.649423322e+00 3.12 -2.630967185e+00 -2.630967185e+00 3.14 -2.609406776e+00 -2.609406776e+00 3.16 -2.584960064e+00 -2.584960064e+00 3.18 -2.557851994e+00 -2.557851994e+00 3.20 -2.528311754e+00 -2.528311754e+00 3.22 -2.496570738e+00 -2.496570738e+00 3.24 -2.462842021e+00 -2.462842021e+00 3.26 -2.427316940e+00 -2.427316940e+00 3.28 -2.390192516e+00 -2.390192516e+00 3.30 -2.351670582e+00 -2.351670582e+00 3.32 -2.311954952e+00 -2.311954952e+00 3.34 -2.271248326e+00 -2.271248326e+00 3.36 -2.229748833e+00 -2.229748833e+00 3.38 -2.187646330e+00 -2.187646330e+00 3.40 -2.145118368e+00 -2.145118368e+00 3.42 -2.102328483e+00 -2.102328483e+00 3.44 -2.059421346e+00 -2.059421346e+00 3.46 -2.016523041e+00 -2.016523041e+00 3.48 -1.973740287e+00 -1.973740287e+00 3.50 -1.931161138e+00 -1.931161138e+00 3.52 -1.888856501e+00 -1.888856501e+00 3.54 -1.846882262e+00 -1.846882262e+00 3.56 -1.805281782e+00 -1.805281782e+00 3.58 -1.764088564e+00 -1.764088564e+00 3.60 -1.723328930e+00 -1.723328930e+00 3.62 -1.683024558e+00 -1.683024558e+00 3.64 -1.643194752e+00 -1.643194752e+00 3.66 -1.603858319e+00 -1.603858319e+00 3.68 -1.565034924e+00 -1.565034924e+00 3.70 -1.526745815e+00 -1.526745815e+00 3.72 -1.489013868e+00 -1.489013868e+00 3.74 -1.451862971e+00 -1.451862971e+00 3.76 -1.415316887e+00 -1.415316887e+00 3.78 -1.379397810e+00 -1.379397810e+00 3.80 -1.344124908e+00 -1.344124908e+00 3.82 -1.309513118e+00 -1.309513118e+00 3.84 -1.275572417e+00 -1.275572417e+00 3.86 -1.242307630e+00 -1.242307630e+00 3.88 -1.209718766e+00 -1.209718766e+00 3.90 -1.177801735e+00 -1.177801735e+00 3.92 -1.146548445e+00 -1.146548445e+00 3.94 -1.115951233e+00 -1.115951233e+00 3.96 -1.085998264e+00 -1.085998264e+00 3.98 -1.056678058e+00 -1.056678058e+00 4.00 -1.027978955e+00 -1.027978955e+00 4.02 -9.998894136e-01 -9.998894136e-01 4.04 -9.723981647e-01 -9.723981647e-01 4.06 -9.454942776e-01 -9.454942776e-01 4.08 -9.191671785e-01 -9.191671785e-01 4.10 -8.934044744e-01 -8.934044744e-01 4.12 -8.682011870e-01 -8.682011870e-01 4.14 -8.435453996e-01 -8.435453996e-01 4.16 -8.194285355e-01 -8.194285355e-01 4.18 -7.958428538e-01 -7.958428538e-01 4.20 -7.727816458e-01 -7.727816458e-01 4.22 -7.502394186e-01 -7.502394186e-01 4.24 -7.282120302e-01 -7.282120302e-01 4.26 -7.066967385e-01 -7.066967385e-01 4.28 -6.856921318e-01 -6.856921318e-01 4.30 -6.651979186e-01 -6.651979186e-01 4.32 -6.452145735e-01 -6.452145735e-01 4.34 -6.257428588e-01 -6.257428588e-01 4.36 -6.067832623e-01 -6.067832623e-01 4.38 -5.883354091e-01 -5.883354091e-01 4.40 -5.703975142e-01 -5.703975142e-01 4.42 -5.529659362e-01 -5.529659362e-01 4.44 -5.360348793e-01 -5.360348793e-01 4.46 -5.195962653e-01 -5.195962653e-01 4.48 -5.036397738e-01 -5.036397738e-01 4.50 -4.881530266e-01 -4.881530266e-01 4.52 -4.731218782e-01 -4.731218782e-01 4.54 -4.585307695e-01 -4.585307695e-01 4.56 -4.443631023e-01 -4.443631023e-01 4.58 -4.306016031e-01 -4.306016031e-01 4.60 -4.172286526e-01 -4.172286526e-01 4.62 -4.042265708e-01 -4.042265708e-01 4.64 -3.915778545e-01 -3.915778545e-01 4.66 -3.792653712e-01 -3.792653712e-01 4.68 -3.672725208e-01 -3.672725208e-01 4.70 -3.555833723e-01 -3.555833723e-01 4.72 -3.441827888e-01 -3.441827888e-01 4.74 -3.330565478e-01 -3.330565478e-01 4.76 -3.221914655e-01 -3.221914655e-01 4.78 -3.115755255e-01 -3.115755255e-01 4.80 -3.011964911e-01 -3.011964911e-01 4.82 -2.910483740e-01 -2.910483740e-01 4.84 -2.811216607e-01 -2.811216607e-01 4.86 -2.714103204e-01 -2.714103204e-01 4.88 -2.619100667e-01 -2.619100667e-01 4.90 -2.526183786e-01 -2.526183786e-01 4.92 -2.435344554e-01 -2.435344554e-01 4.94 -2.346590942e-01 -2.346590942e-01 4.96 -2.259944852e-01 -2.259944852e-01 4.98 -2.175439279e-01 -2.175439279e-01 5.00 -2.093114834e-01 -2.093114834e-01 5.02 -2.013015848e-01 -2.013015848e-01 5.04 -1.935186382e-01 -1.935186382e-01 5.06 -1.859666475e-01 -1.859666475e-01 5.08 -1.786488978e-01 -1.786488978e-01 5.10 -1.715677167e-01 -1.715677167e-01 5.12 -1.647243422e-01 -1.647243422e-01 5.14 -1.581188895e-01 -1.581188895e-01 5.16 -1.517504067e-01 -1.517504067e-01 5.18 -1.456170017e-01 -1.456170017e-01 5.20 -1.397160045e-01 -1.397160045e-01 5.22 -1.340441391e-01 -1.340441391e-01 5.24 -1.285976794e-01 -1.285976794e-01 5.26 -1.233725651e-01 -1.233725651e-01 5.28 -1.183644686e-01 -1.183644686e-01 5.30 -1.135688089e-01 -1.135688089e-01 5.32 -1.089804910e-01 -1.089804910e-01 5.34 -1.045936056e-01 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-3.688334740e-02 -3.688334740e-02 5.88 -3.515645122e-02 -3.515645122e-02 5.90 -3.345348290e-02 -3.345348290e-02 5.92 -3.177414319e-02 -3.177414319e-02 5.94 -3.011879086e-02 -3.011879086e-02 5.96 -2.848843370e-02 -2.848843370e-02 5.98 -2.688470308e-02 -2.688470308e-02 6.00 -2.530981199e-02 -2.530981199e-02