# 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 = Mg2PbTi # 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 3.869532694e+02 3.869532694e+02 1.30 3.597573231e+02 3.597573231e+02 1.32 3.345493057e+02 3.345493057e+02 1.34 3.111687005e+02 3.111687005e+02 1.36 2.894698157e+02 2.894698157e+02 1.38 2.693208901e+02 2.693208901e+02 1.40 2.506024857e+02 2.506024857e+02 1.42 2.332057378e+02 2.332057378e+02 1.44 2.170309088e+02 2.170309088e+02 1.46 2.019863521e+02 2.019863521e+02 1.48 1.879877804e+02 1.879877804e+02 1.50 1.749577453e+02 1.749577453e+02 1.52 1.628252241e+02 1.628252241e+02 1.54 1.515250665e+02 1.515250665e+02 1.56 1.409972888e+02 1.409972888e+02 1.58 1.311864466e+02 1.311864466e+02 1.60 1.220412205e+02 1.220412205e+02 1.62 1.135141931e+02 1.135141931e+02 1.64 1.055617003e+02 1.055617003e+02 1.66 9.814363251e+01 9.814363251e+01 1.68 9.122321358e+01 9.122321358e+01 1.70 8.476918941e+01 8.476918941e+01 1.72 7.875432825e+01 7.875432825e+01 1.74 7.314770431e+01 7.314770431e+01 1.76 6.792065458e+01 6.792065458e+01 1.78 6.304658986e+01 6.304658986e+01 1.80 5.850092480e+01 5.850092480e+01 1.82 5.426099582e+01 5.426099582e+01 1.84 5.030594679e+01 5.030594679e+01 1.86 4.661658194e+01 4.661658194e+01 1.88 4.317517115e+01 4.317517115e+01 1.90 3.996522788e+01 3.996522788e+01 1.92 3.697131457e+01 3.697131457e+01 1.94 3.417892502e+01 3.417892502e+01 1.96 3.157444213e+01 3.157444213e+01 1.98 2.914515121e+01 2.914515121e+01 2.00 2.687923933e+01 2.687923933e+01 2.02 2.476574740e+01 2.476574740e+01 2.04 2.279449114e+01 2.279449114e+01 2.06 2.095599153e+01 2.095599153e+01 2.08 1.924143410e+01 1.924143410e+01 2.10 1.764265063e+01 1.764265063e+01 2.12 1.615209487e+01 1.615209487e+01 2.14 1.476279509e+01 1.476279509e+01 2.16 1.346829218e+01 1.346829218e+01 2.18 1.226257330e+01 1.226257330e+01 2.20 1.114001322e+01 1.114001322e+01 2.22 1.009532589e+01 1.009532589e+01 2.24 9.123526066e+00 9.123526066e+00 2.26 8.219899022e+00 8.219899022e+00 2.28 7.379972715e+00 7.379972715e+00 2.30 6.599509356e+00 6.599509356e+00 2.32 5.874493895e+00 5.874493895e+00 2.34 5.201150584e+00 5.201150584e+00 2.36 4.575948218e+00 4.575948218e+00 2.38 3.995605187e+00 3.995605187e+00 2.40 3.457081106e+00 3.457081106e+00 2.42 2.957558571e+00 2.957558571e+00 2.44 2.494423534e+00 2.494423534e+00 2.46 2.065246700e+00 2.065246700e+00 2.48 1.667769521e+00 1.667769521e+00 2.50 1.299889857e+00 1.299889857e+00 2.52 9.596040221e-01 9.596040221e-01 2.54 6.451298778e-01 6.451298778e-01 2.56 3.548357868e-01 3.548357868e-01 2.58 8.719333213e-02 8.719333213e-02 2.60 -1.592298794e-01 -1.592298794e-01 2.62 -3.857773357e-01 -3.857773357e-01 2.64 -5.937151636e-01 -5.937151636e-01 2.66 -7.842337323e-01 -7.842337323e-01 2.68 -9.584090107e-01 -9.584090107e-01 2.70 -1.117193975e+00 -1.117193975e+00 2.72 -1.261505516e+00 -1.261505516e+00 2.74 -1.392229219e+00 -1.392229219e+00 2.76 -1.510216183e+00 -1.510216183e+00 2.78 -1.616279682e+00 -1.616279682e+00 2.80 -1.711194831e+00 -1.711194831e+00 2.82 -1.795694848e+00 -1.795694848e+00 2.84 -1.870473613e+00 -1.870473613e+00 2.86 -1.936186882e+00 -1.936186882e+00 2.88 -1.993454970e+00 -1.993454970e+00 2.90 -2.042865905e+00 -2.042865905e+00 2.92 -2.084978686e+00 -2.084978686e+00 2.94 -2.120326446e+00 -2.120326446e+00 2.96 -2.149419403e+00 -2.149419403e+00 2.98 -2.172747417e+00 -2.172747417e+00 3.00 -2.190781689e+00 -2.190781689e+00 3.02 -2.203974955e+00 -2.203974955e+00 3.04 -2.212758766e+00 -2.212758766e+00 3.06 -2.217543925e+00 -2.217543925e+00 3.08 -2.218709837e+00 -2.218709837e+00 3.10 -2.216605631e+00 -2.216605631e+00 3.12 -2.211548278e+00 -2.211548278e+00 3.14 -2.203857574e+00 -2.203857574e+00 3.16 -2.193772920e+00 -2.193772920e+00 3.18 -2.181493852e+00 -2.181493852e+00 3.20 -2.167207489e+00 -2.167207489e+00 3.22 -2.151090243e+00 -2.151090243e+00 3.24 -2.133308865e+00 -2.133308865e+00 3.26 -2.114020933e+00 -2.114020933e+00 3.28 -2.093374930e+00 -2.093374930e+00 3.30 -2.071507688e+00 -2.071507688e+00 3.32 -2.048538028e+00 -2.048538028e+00 3.34 -2.024575371e+00 -2.024575371e+00 3.36 -1.999722756e+00 -1.999722756e+00 3.38 -1.974103295e+00 -1.974103295e+00 3.40 -1.947791305e+00 -1.947791305e+00 3.42 -1.920841998e+00 -1.920841998e+00 3.44 -1.893310704e+00 -1.893310704e+00 3.46 -1.865255291e+00 -1.865255291e+00 3.48 -1.836737263e+00 -1.836737263e+00 3.50 -1.807822788e+00 -1.807822788e+00 3.52 -1.778582975e+00 -1.778582975e+00 3.54 -1.749093073e+00 -1.749093073e+00 3.56 -1.719422513e+00 -1.719422513e+00 3.58 -1.689608317e+00 -1.689608317e+00 3.60 -1.659682599e+00 -1.659682599e+00 3.62 -1.629679794e+00 -1.629679794e+00 3.64 -1.599633458e+00 -1.599633458e+00 3.66 -1.569574588e+00 -1.569574588e+00 3.68 -1.539531241e+00 -1.539531241e+00 3.70 -1.509529129e+00 -1.509529129e+00 3.72 -1.479592675e+00 -1.479592675e+00 3.74 -1.449746096e+00 -1.449746096e+00 3.76 -1.420014169e+00 -1.420014169e+00 3.78 -1.390422578e+00 -1.390422578e+00 3.80 -1.360997853e+00 -1.360997853e+00 3.82 -1.331767022e+00 -1.331767022e+00 3.84 -1.302757104e+00 -1.302757104e+00 3.86 -1.273994566e+00 -1.273994566e+00 3.88 -1.245504792e+00 -1.245504792e+00 3.90 -1.217311617e+00 -1.217311617e+00 3.92 -1.189436371e+00 -1.189436371e+00 3.94 -1.161899983e+00 -1.161899983e+00 3.96 -1.134719049e+00 -1.134719049e+00 3.98 -1.107908452e+00 -1.107908452e+00 4.00 -1.081480743e+00 -1.081480743e+00 4.02 -1.055446329e+00 -1.055446329e+00 4.04 -1.029813717e+00 -1.029813717e+00 4.06 -1.004589781e+00 -1.004589781e+00 4.08 -9.797800171e-01 -9.797800171e-01 4.10 -9.553872042e-01 -9.553872042e-01 4.12 -9.314180987e-01 -9.314180987e-01 4.14 -9.078733087e-01 -9.078733087e-01 4.16 -8.847545958e-01 -8.847545958e-01 4.18 -8.620630324e-01 -8.620630324e-01 4.20 -8.397990506e-01 -8.397990506e-01 4.22 -8.179624812e-01 -8.179624812e-01 4.24 -7.965525887e-01 -7.965525887e-01 4.26 -7.755681077e-01 -7.755681077e-01 4.28 -7.550072817e-01 -7.550072817e-01 4.30 -7.348679060e-01 -7.348679060e-01 4.32 -7.151473720e-01 -7.151473720e-01 4.34 -6.958427103e-01 -6.958427103e-01 4.36 -6.769506304e-01 -6.769506304e-01 4.38 -6.584675525e-01 -6.584675525e-01 4.40 -6.403896299e-01 -6.403896299e-01 4.42 -6.227127596e-01 -6.227127596e-01 4.44 -6.054325807e-01 -6.054325807e-01 4.46 -5.885444622e-01 -5.885444622e-01 4.48 -5.720434819e-01 -5.720434819e-01 4.50 -5.559243995e-01 -5.559243995e-01 4.52 -5.401816273e-01 -5.401816273e-01 4.54 -5.248092034e-01 -5.248092034e-01 4.56 -5.098007694e-01 -5.098007694e-01 4.58 -4.951495573e-01 -4.951495573e-01 4.60 -4.808483872e-01 -4.808483872e-01 4.62 -4.668896785e-01 -4.668896785e-01 4.64 -4.532654752e-01 -4.532654752e-01 4.66 -4.399674861e-01 -4.399674861e-01 4.68 -4.269871401e-01 -4.269871401e-01 4.70 -4.143156559e-01 -4.143156559e-01 4.72 -4.019441262e-01 -4.019441262e-01 4.74 -3.898636148e-01 -3.898636148e-01 4.76 -3.780652671e-01 -3.780652671e-01 4.78 -3.665404317e-01 -3.665404317e-01 4.80 -3.552796530e-01 -3.552796530e-01 4.82 -3.442775670e-01 -3.442775670e-01 4.84 -3.335256098e-01 -3.335256098e-01 4.86 -3.230173618e-01 -3.230173618e-01 4.88 -3.127473259e-01 -3.127473259e-01 4.90 -3.027110517e-01 -3.027110517e-01 4.92 -2.929052270e-01 -2.929052270e-01 4.94 -2.833277188e-01 -2.833277188e-01 4.96 -2.739775471e-01 -2.739775471e-01 4.98 -2.648547796e-01 -2.648547796e-01 5.00 -2.559603418e-01 -2.559603418e-01 5.02 -2.472957471e-01 -2.472957471e-01 5.04 -2.388627657e-01 -2.388627657e-01 5.06 -2.306630621e-01 -2.306630621e-01 5.08 -2.226978374e-01 -2.226978374e-01 5.10 -2.149675153e-01 -2.149675153e-01 5.12 -2.074715071e-01 -2.074715071e-01 5.14 -2.002080746e-01 -2.002080746e-01 5.16 -1.931742990e-01 -1.931742990e-01 5.18 -1.863661473e-01 -1.863661473e-01 5.20 -1.797786124e-01 -1.797786124e-01 5.22 -1.734059024e-01 -1.734059024e-01 5.24 -1.672416445e-01 -1.672416445e-01 5.26 -1.612790824e-01 -1.612790824e-01 5.28 -1.555112461e-01 -1.555112461e-01 5.30 -1.499310829e-01 -1.499310829e-01 5.32 -1.445315482e-01 -1.445315482e-01 5.34 -1.393056580e-01 -1.393056580e-01 5.36 -1.342465115e-01 -1.342465115e-01 5.38 -1.293472922e-01 -1.293472922e-01 5.40 -1.246012564e-01 -1.246012564e-01 5.42 -1.200017162e-01 -1.200017162e-01 5.44 -1.155420235e-01 -1.155420235e-01 5.46 -1.112155600e-01 -1.112155600e-01 5.48 -1.070157364e-01 -1.070157364e-01 5.50 -1.029360044e-01 -1.029360044e-01 5.52 -9.896988432e-02 -9.896988432e-02 5.54 -9.511101250e-02 -9.511101250e-02 5.56 -9.135320818e-02 -9.135320818e-02 5.58 -8.769056175e-02 -8.769056175e-02 5.60 -8.411754131e-02 -8.411754131e-02 5.62 -8.062911285e-02 -8.062911285e-02 5.64 -7.722086610e-02 -7.722086610e-02 5.66 -7.388913573e-02 -7.388913573e-02 5.68 -7.063110579e-02 -7.063110579e-02 5.70 -6.744488489e-02 -6.744488489e-02 5.72 -6.432954054e-02 -6.432954054e-02 5.74 -6.128508358e-02 -6.128508358e-02 5.76 -5.831235695e-02 -5.831235695e-02 5.78 -5.541294442e-02 -5.541294442e-02 5.80 -5.258904815e-02 -5.258904815e-02 5.82 -4.984326159e-02 -4.984326159e-02 5.84 -4.717831332e-02 -4.717831332e-02 5.86 -4.459684362e-02 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