# 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 = MoNi2Ta # 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 2.043813620e+02 2.043813620e+02 1.30 1.881961927e+02 1.881961927e+02 1.32 1.732685821e+02 1.732685821e+02 1.34 1.594903253e+02 1.594903253e+02 1.36 1.467647543e+02 1.467647543e+02 1.38 1.350057715e+02 1.350057715e+02 1.40 1.241363342e+02 1.241363342e+02 1.42 1.140870758e+02 1.140870758e+02 1.44 1.047948874e+02 1.047948874e+02 1.46 9.620134595e+01 9.620134595e+01 1.48 8.825145616e+01 8.825145616e+01 1.50 8.089323714e+01 8.089323714e+01 1.52 7.407821214e+01 7.407821214e+01 1.54 6.776228207e+01 6.776228207e+01 1.56 6.190624093e+01 6.190624093e+01 1.58 5.647557701e+01 5.647557701e+01 1.60 5.143980100e+01 5.143980100e+01 1.62 4.677171900e+01 4.677171900e+01 1.64 4.244679638e+01 4.244679638e+01 1.66 3.844253235e+01 3.844253235e+01 1.68 3.473783090e+01 3.473783090e+01 1.70 3.131247643e+01 3.131247643e+01 1.72 2.814681570e+01 2.814681570e+01 1.74 2.522169231e+01 2.522169231e+01 1.76 2.252181082e+01 2.252181082e+01 1.78 2.003248977e+01 2.003248977e+01 1.80 1.773908803e+01 1.773908803e+01 1.82 1.562668543e+01 1.562668543e+01 1.84 1.368166293e+01 1.368166293e+01 1.86 1.189193701e+01 1.189193701e+01 1.88 1.024663966e+01 1.024663966e+01 1.90 8.735754700e+00 8.735754700e+00 1.92 7.349800640e+00 7.349800640e+00 1.94 6.079627372e+00 6.079627372e+00 1.96 4.916349272e+00 4.916349272e+00 1.98 3.851392505e+00 3.851392505e+00 2.00 2.876607543e+00 2.876607543e+00 2.02 1.984393584e+00 1.984393584e+00 2.04 1.167793821e+00 1.167793821e+00 2.06 4.205388819e-01 4.205388819e-01 2.08 -2.629653270e-01 -2.629653270e-01 2.10 -8.876920727e-01 -8.876920727e-01 2.12 -1.458067595e+00 -1.458067595e+00 2.14 -1.978044049e+00 -1.978044049e+00 2.16 -2.451163398e+00 -2.451163398e+00 2.18 -2.880615747e+00 -2.880615747e+00 2.20 -3.269299333e+00 -3.269299333e+00 2.22 -3.619885322e+00 -3.619885322e+00 2.24 -3.934884439e+00 -3.934884439e+00 2.26 -4.216709943e+00 -4.216709943e+00 2.28 -4.467733011e+00 -4.467733011e+00 2.30 -4.690327162e+00 -4.690327162e+00 2.32 -4.886894208e+00 -4.886894208e+00 2.34 -5.059858791e+00 -5.059858791e+00 2.36 -5.211621443e+00 -5.211621443e+00 2.38 -5.344475451e+00 -5.344475451e+00 2.40 -5.460431611e+00 -5.460431611e+00 2.42 -5.561267472e+00 -5.561267472e+00 2.44 -5.648697421e+00 -5.648697421e+00 2.46 -5.724079821e+00 -5.724079821e+00 2.48 -5.788463199e+00 -5.788463199e+00 2.50 -5.842653876e+00 -5.842653876e+00 2.52 -5.887162046e+00 -5.887162046e+00 2.54 -5.922315360e+00 -5.922315360e+00 2.56 -5.948342148e+00 -5.948342148e+00 2.58 -5.965494423e+00 -5.965494423e+00 2.60 -5.974046697e+00 -5.974046697e+00 2.62 -5.974290089e+00 -5.974290089e+00 2.64 -5.966531826e+00 -5.966531826e+00 2.66 -5.951098400e+00 -5.951098400e+00 2.68 -5.928310641e+00 -5.928310641e+00 2.70 -5.898365428e+00 -5.898365428e+00 2.72 -5.861472879e+00 -5.861472879e+00 2.74 -5.817902942e+00 -5.817902942e+00 2.76 -5.767968309e+00 -5.767968309e+00 2.78 -5.712006979e+00 -5.712006979e+00 2.80 -5.650363736e+00 -5.650363736e+00 2.82 -5.583378643e+00 -5.583378643e+00 2.84 -5.511384925e+00 -5.511384925e+00 2.86 -5.434715642e+00 -5.434715642e+00 2.88 -5.353714334e+00 -5.353714334e+00 2.90 -5.268652978e+00 -5.268652978e+00 2.92 -5.179714706e+00 -5.179714706e+00 2.94 -5.087155125e+00 -5.087155125e+00 2.96 -4.991303673e+00 -4.991303673e+00 2.98 -4.892543879e+00 -4.892543879e+00 3.00 -4.791289032e+00 -4.791289032e+00 3.02 -4.687955761e+00 -4.687955761e+00 3.04 -4.582938595e+00 -4.582938595e+00 3.06 -4.476588585e+00 -4.476588585e+00 3.08 -4.369198483e+00 -4.369198483e+00 3.10 -4.260995847e+00 -4.260995847e+00 3.12 -4.152144265e+00 -4.152144265e+00 3.14 -4.042751741e+00 -4.042751741e+00 3.16 -3.932884514e+00 -3.932884514e+00 3.18 -3.822584195e+00 -3.822584195e+00 3.20 -3.711886048e+00 -3.711886048e+00 3.22 -3.600836445e+00 -3.600836445e+00 3.24 -3.489507798e+00 -3.489507798e+00 3.26 -3.378009668e+00 -3.378009668e+00 3.28 -3.266495172e+00 -3.266495172e+00 3.30 -3.155162269e+00 -3.155162269e+00 3.32 -3.044250036e+00 -3.044250036e+00 3.34 -2.934030571e+00 -2.934030571e+00 3.36 -2.824797597e+00 -2.824797597e+00 3.38 -2.716853122e+00 -2.716853122e+00 3.40 -2.610493574e+00 -2.610493574e+00 3.42 -2.505996700e+00 -2.505996700e+00 3.44 -2.403610200e+00 -2.403610200e+00 3.46 -2.303542765e+00 -2.303542765e+00 3.48 -2.205957832e+00 -2.205957832e+00 3.50 -2.110970176e+00 -2.110970176e+00 3.52 -2.018645287e+00 -2.018645287e+00 3.54 -1.929001383e+00 -1.929001383e+00 3.56 -1.842013820e+00 -1.842013820e+00 3.58 -1.757621597e+00 -1.757621597e+00 3.60 -1.675735519e+00 -1.675735519e+00 3.62 -1.596247555e+00 -1.596247555e+00 3.64 -1.519040844e+00 -1.519040844e+00 3.66 -1.443999781e+00 -1.443999781e+00 3.68 -1.371019644e+00 -1.371019644e+00 3.70 -1.300015220e+00 -1.300015220e+00 3.72 -1.230927948e+00 -1.230927948e+00 3.74 -1.163731145e+00 -1.163731145e+00 3.76 -1.098432912e+00 -1.098432912e+00 3.78 -1.035076455e+00 -1.035076455e+00 3.80 -9.737376287e-01 -9.737376287e-01 3.82 -9.145197085e-01 -9.145197085e-01 3.84 -8.575456143e-01 -8.575456143e-01 3.86 -8.029480612e-01 -8.029480612e-01 3.88 -7.508583981e-01 -7.508583981e-01 3.90 -7.013951232e-01 -7.013951232e-01 3.92 -6.546531981e-01 -6.546531981e-01 3.94 -6.106952493e-01 -6.106952493e-01 3.96 -5.695455251e-01 -5.695455251e-01 3.98 -5.311870986e-01 -5.311870986e-01 4.00 -4.955623458e-01 -4.955623458e-01 4.02 -4.625762971e-01 -4.625762971e-01 4.04 -4.321021442e-01 -4.321021442e-01 4.06 -4.039880409e-01 -4.039880409e-01 4.08 -3.780643573e-01 -3.780643573e-01 4.10 -3.541506927e-01 -3.541506927e-01 4.12 -3.320621636e-01 -3.320621636e-01 4.14 -3.116146965e-01 -3.116146965e-01 4.16 -2.926292515e-01 -2.926292515e-01 4.18 -2.749350301e-01 -2.749350301e-01 4.20 -2.583718170e-01 -2.583718170e-01 4.22 -2.427916391e-01 -2.427916391e-01 4.24 -2.280599378e-01 -2.280599378e-01 4.26 -2.140564231e-01 -2.140564231e-01 4.28 -2.006757505e-01 -2.006757505e-01 4.30 -1.878280991e-01 -1.878280991e-01 4.32 -1.754396917e-01 -1.754396917e-01 4.34 -1.634532219e-01 -1.634532219e-01 4.36 -1.518280344e-01 -1.518280344e-01 4.38 -1.405397862e-01 -1.405397862e-01 4.40 -1.295809512e-01 -1.295809512e-01 4.42 -1.189589103e-01 -1.189589103e-01 4.44 -1.086939662e-01 -1.086939662e-01 4.46 -9.881674750e-02 -9.881674750e-02 4.48 -8.936490326e-02 -8.936490326e-02 4.50 -8.037930846e-02 -8.037930846e-02 4.52 -7.190010060e-02 -7.190010060e-02 4.54 -6.396292561e-02 -6.396292561e-02 4.56 -5.659576222e-02 -5.659576222e-02 4.58 -4.981661811e-02 -4.981661811e-02 4.60 -4.363226444e-02 -4.363226444e-02 4.62 -3.803802673e-02 -3.803802673e-02 4.64 -3.301851335e-02 -3.301851335e-02 4.66 -2.854906172e-02 -2.854906172e-02 4.68 -2.459763822e-02 -2.459763822e-02 4.70 -2.112693085e-02 -2.112693085e-02 4.72 -1.809638800e-02 -1.809638800e-02 4.74 -1.546358962e-02 -1.546358962e-02 4.76 -1.318703082e-02 -1.318703082e-02 4.78 -1.122676467e-02 -1.122676467e-02 4.80 -9.544910701e-03 -9.544910701e-03 4.82 -8.106319750e-03 -8.106319750e-03 4.84 -6.878943773e-03 -6.878943773e-03 4.86 -5.833978689e-03 -5.833978689e-03 4.88 -4.945839803e-03 -4.945839803e-03 4.90 -4.192022760e-03 -4.192022760e-03 4.92 -3.552892185e-03 -3.552892185e-03 4.94 -3.011430492e-03 -3.011430492e-03 4.96 -2.552970628e-03 -2.552970628e-03 4.98 -2.164929351e-03 -2.164929351e-03 5.00 -1.836551926e-03 -1.836551926e-03 5.02 -1.558674837e-03 -1.558674837e-03 5.04 -1.323509975e-03 -1.323509975e-03 5.06 -1.124451562e-03 -1.124451562e-03 5.08 -9.559056406e-04 -9.559056406e-04 5.10 -8.131409858e-04 -8.131409858e-04 5.12 -6.921598204e-04 -6.921598204e-04 5.14 -5.895864192e-04 -5.895864192e-04 5.16 -5.025716336e-04 -5.025716336e-04 5.18 -4.287114082e-04 -4.287114082e-04 5.20 -3.659774756e-04 -3.659774756e-04 5.22 -3.126585717e-04 -3.126585717e-04 5.24 -2.673106854e-04 -2.673106854e-04 5.26 -2.287150259e-04 -2.287150259e-04 5.28 -1.958425594e-04 -1.958425594e-04 5.30 -1.678241186e-04 -1.678241186e-04 5.32 -1.439252291e-04 -1.439252291e-04 5.34 -1.235249184e-04 -1.235249184e-04 5.36 -1.060978844e-04 -1.060978844e-04 5.38 -9.119949271e-05 -9.119949271e-05 5.40 -7.845315447e-05 -7.845315447e-05 5.42 -6.753970591e-05 -6.753970591e-05 5.44 -5.818847058e-05 -5.818847058e-05 5.46 -5.016973539e-05 -5.016973539e-05 5.48 -4.328841457e-05 -4.328841457e-05 5.50 -3.737871183e-05 -3.737871183e-05 5.52 -3.229962124e-05 -3.229962124e-05 5.54 -2.793113321e-05 -2.793113321e-05 5.56 -2.417103305e-05 -2.417103305e-05 5.58 -2.093219830e-05 -2.093219830e-05 5.60 -1.814031538e-05 -1.814031538e-05 5.62 -1.573194955e-05 -1.573194955e-05 5.64 -1.365291229e-05 -1.365291229e-05 5.66 -1.185687934e-05 -1.185687934e-05 5.68 -1.030422021e-05 -1.030422021e-05 5.70 -8.961006036e-06 -8.961006036e-06 5.72 -7.798167977e-06 -7.798167977e-06 5.74 -6.790782940e-06 -6.790782940e-06 5.76 -5.917466808e-06 -5.917466808e-06 5.78 -5.159858685e-06 -5.159858685e-06 5.80 -4.502182177e-06 -4.502182177e-06 5.82 -3.930871938e-06 -3.930871938e-06 5.84 -3.434255532e-06 -3.434255532e-06 5.86 -3.002282240e-06 -3.002282240e-06 5.88 -2.626291703e-06 -2.626291703e-06 5.90 -2.298816414e-06 -2.298816414e-06 5.92 -2.013412995e-06 -2.013412995e-06 5.94 -1.764517947e-06 -1.764517947e-06 5.96 -1.547324242e-06 -1.547324242e-06 5.98 -1.357675679e-06 -1.357675679e-06 6.00 -1.191976369e-06 -1.191976369e-06