# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = BrId2Li # 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 2022-05-24 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 6.027906010e+06 6.027906010e+06 1.30 4.602290615e+06 4.602290615e+06 1.32 3.528097069e+06 3.528097069e+06 1.34 2.715255235e+06 2.715255235e+06 1.36 2.097642965e+06 2.097642965e+06 1.38 1.626494394e+06 1.626494394e+06 1.40 1.265683521e+06 1.265683521e+06 1.42 9.883315945e+05 9.883315945e+05 1.44 7.743558079e+05 7.743558079e+05 1.46 6.086897728e+05 6.086897728e+05 1.48 4.799853495e+05 4.799853495e+05 1.50 3.796618999e+05 3.796618999e+05 1.52 3.012072600e+05 3.012072600e+05 1.54 2.396608379e+05 2.396608379e+05 1.56 1.912305068e+05 1.912305068e+05 1.58 1.530073703e+05 1.530073703e+05 1.60 1.227527478e+05 1.227527478e+05 1.62 9.873781726e+04 9.873781726e+04 1.64 7.962335406e+04 7.962335406e+04 1.66 6.436867915e+04 6.436867915e+04 1.68 5.216272577e+04 5.216272577e+04 1.70 4.237142954e+04 4.237142954e+04 1.72 3.449771383e+04 3.449771383e+04 1.74 2.815078377e+04 2.815078377e+04 1.76 2.302258006e+04 2.302258006e+04 1.78 1.886960691e+04 1.886960691e+04 1.80 1.549888917e+04 1.549888917e+04 1.82 1.275712876e+04 1.275712876e+04 1.84 1.052222069e+04 1.052222069e+04 1.86 8.696656294e+03 8.696656294e+03 1.88 7.202441119e+03 7.202441119e+03 1.90 5.977006471e+03 5.977006471e+03 1.92 4.970048472e+03 4.970048472e+03 1.94 4.141036317e+03 4.141036317e+03 1.96 3.457240875e+03 3.457240875e+03 1.98 2.892191876e+03 2.892191876e+03 2.00 2.424413763e+03 2.424413763e+03 2.02 2.036477668e+03 2.036477668e+03 2.04 1.714191916e+03 1.714191916e+03 2.06 1.445981091e+03 1.445981091e+03 2.08 1.222387369e+03 1.222387369e+03 2.10 1.035668661e+03 1.035668661e+03 2.12 8.794791759e+02 8.794791759e+02 2.14 7.486039128e+02 7.486039128e+02 2.16 6.387512638e+02 6.387512638e+02 2.18 5.463871222e+02 5.463871222e+02 2.20 4.685969980e+02 4.685969980e+02 2.22 4.029673322e+02 4.029673322e+02 2.24 3.474994697e+02 3.474994697e+02 2.26 3.005352782e+02 3.005352782e+02 2.28 2.606982955e+02 2.606982955e+02 2.30 2.268431209e+02 2.268431209e+02 2.32 1.980155029e+02 1.980155029e+02 2.34 1.734194911e+02 1.734194911e+02 2.36 1.523899590e+02 1.523899590e+02 2.38 1.343696707e+02 1.343696707e+02 2.40 1.188922289e+02 1.188922289e+02 2.42 1.055668308e+02 1.055668308e+02 2.44 9.406750896e+01 9.406750896e+01 2.46 8.411842819e+01 8.411842819e+01 2.48 7.548744234e+01 7.548744234e+01 2.50 6.797885163e+01 6.797885163e+01 2.52 6.142760885e+01 6.142760885e+01 2.54 5.569419393e+01 5.569419393e+01 2.56 5.066073156e+01 5.066073156e+01 2.58 4.622785423e+01 4.622785423e+01 2.60 4.231072259e+01 4.231072259e+01 2.62 3.883798348e+01 3.883798348e+01 2.64 3.574919858e+01 3.574919858e+01 2.66 3.299274119e+01 3.299274119e+01 2.68 3.052454109e+01 3.052454109e+01 2.70 2.830705369e+01 2.830705369e+01 2.72 2.630822660e+01 2.630822660e+01 2.74 2.449997366e+01 2.449997366e+01 2.76 2.285934038e+01 2.285934038e+01 2.78 2.136646173e+01 2.136646173e+01 2.80 2.000395741e+01 2.000395741e+01 2.82 1.875682934e+01 1.875682934e+01 2.84 1.761138883e+01 1.761138883e+01 2.86 1.655682985e+01 1.655682985e+01 2.88 1.558398401e+01 1.558398401e+01 2.90 1.468398922e+01 1.468398922e+01 2.92 1.384979489e+01 1.384979489e+01 2.94 1.307481257e+01 1.307481257e+01 2.96 1.235325260e+01 1.235325260e+01 2.98 1.167998480e+01 1.167998480e+01 3.00 1.105048150e+01 1.105048150e+01 3.02 1.046079179e+01 1.046079179e+01 3.04 9.907344543e+00 9.907344543e+00 3.06 9.386954180e+00 9.386954180e+00 3.08 8.896755586e+00 8.896755586e+00 3.10 8.434208405e+00 8.434208405e+00 3.12 7.997039942e+00 7.997039942e+00 3.14 7.583202581e+00 7.583202581e+00 3.16 7.190865449e+00 7.190865449e+00 3.18 6.818305998e+00 6.818305998e+00 3.20 6.464053478e+00 6.464053478e+00 3.22 6.126901861e+00 6.126901861e+00 3.24 5.805669588e+00 5.805669588e+00 3.26 5.499180984e+00 5.499180984e+00 3.28 5.206551350e+00 5.206551350e+00 3.30 4.927063829e+00 4.927063829e+00 3.32 4.659979009e+00 4.659979009e+00 3.34 4.404617072e+00 4.404617072e+00 3.36 4.160396788e+00 4.160396788e+00 3.38 3.926824915e+00 3.926824915e+00 3.40 3.703429462e+00 3.703429462e+00 3.42 3.489783702e+00 3.489783702e+00 3.44 3.285497557e+00 3.285497557e+00 3.46 3.090210594e+00 3.090210594e+00 3.48 2.903585888e+00 2.903585888e+00 3.50 2.725304758e+00 2.725304758e+00 3.52 2.555062861e+00 2.555062861e+00 3.54 2.392565074e+00 2.392565074e+00 3.56 2.237523990e+00 2.237523990e+00 3.58 2.089657678e+00 2.089657678e+00 3.60 1.948688056e+00 1.948688056e+00 3.62 1.814340022e+00 1.814340022e+00 3.64 1.686341082e+00 1.686341082e+00 3.66 1.564421392e+00 1.564421392e+00 3.68 1.448148463e+00 1.448148463e+00 3.70 1.337446745e+00 1.337446745e+00 3.72 1.231609434e+00 1.231609434e+00 3.74 1.130785674e+00 1.130785674e+00 3.76 1.034904872e+00 1.034904872e+00 3.78 9.436966244e-01 9.436966244e-01 3.80 8.569041540e-01 8.569041540e-01 3.82 7.742843943e-01 7.742843943e-01 3.84 6.956080308e-01 6.956080308e-01 3.86 6.206594832e-01 6.206594832e-01 3.88 5.492368142e-01 5.492368142e-01 3.90 4.811515575e-01 4.811515575e-01 3.92 4.162284557e-01 4.162284557e-01 3.94 3.543051082e-01 3.543051082e-01 3.96 2.952315282e-01 2.952315282e-01 3.98 2.388696144e-01 2.388696144e-01 4.00 1.850925436e-01 1.850925436e-01 4.02 1.337840956e-01 1.337840956e-01 4.04 8.483792145e-02 8.483792145e-02 4.06 3.815701716e-02 3.815701716e-02 4.08 -6.347734259e-03 -6.347734259e-03 4.10 -4.875793972e-02 -4.875793972e-02 4.12 -8.914842321e-02 -8.914842321e-02 4.14 -1.276093654e-01 -1.276093654e-01 4.16 -1.641782250e-01 -1.641782250e-01 4.18 -1.989160422e-01 -1.989160422e-01 4.20 -2.318790466e-01 -2.318790466e-01 4.22 -2.631998460e-01 -2.631998460e-01 4.24 -2.928567750e-01 -2.928567750e-01 4.26 -3.208710602e-01 -3.208710602e-01 4.28 -3.473036079e-01 -3.473036079e-01 4.30 -3.722004521e-01 -3.722004521e-01 4.32 -3.955959389e-01 -3.955959389e-01 4.34 -4.175351024e-01 -4.175351024e-01 4.36 -4.380630130e-01 -4.380630130e-01 4.38 -4.572235779e-01 -4.572235779e-01 4.40 -4.750596302e-01 -4.750596302e-01 4.42 -4.916132686e-01 -4.916132686e-01 4.44 -5.069258940e-01 -5.069258940e-01 4.46 -5.210382187e-01 -5.210382187e-01 4.48 -5.339902533e-01 -5.339902533e-01 4.50 -5.459946862e-01 -5.459946862e-01 4.52 -5.569403212e-01 -5.569403212e-01 4.54 -5.667976212e-01 -5.667976212e-01 4.56 -5.756109964e-01 -5.756109964e-01 4.58 -5.834228350e-01 -5.834228350e-01 4.60 -5.902735930e-01 -5.902735930e-01 4.62 -5.962018853e-01 -5.962018853e-01 4.64 -6.012445767e-01 -6.012445767e-01 4.66 -6.054368737e-01 -6.054368737e-01 4.68 -6.088124172e-01 -6.088124172e-01 4.70 -6.114033748e-01 -6.114033748e-01 4.72 -6.132405344e-01 -6.132405344e-01 4.74 -6.143533973e-01 -6.143533973e-01 4.76 -6.147702173e-01 -6.147702173e-01 4.78 -6.145181816e-01 -6.145181816e-01 4.80 -6.136235837e-01 -6.136235837e-01 4.82 -6.121116958e-01 -6.121116958e-01 4.84 -6.100069581e-01 -6.100069581e-01 4.86 -6.073330637e-01 -6.073330637e-01 4.88 -6.041130408e-01 -6.041130408e-01 4.90 -6.003693308e-01 -6.003693308e-01 4.92 -5.961238622e-01 -5.961238622e-01 4.94 -5.913981197e-01 -5.913981197e-01 4.96 -5.862131615e-01 -5.862131615e-01 4.98 -5.805896180e-01 -5.805896180e-01 5.00 -5.745482304e-01 -5.745482304e-01 5.02 -5.681092810e-01 -5.681092810e-01 5.04 -5.612928637e-01 -5.612928637e-01 5.06 -5.541189155e-01 -5.541189155e-01 5.08 -5.466072391e-01 -5.466072391e-01 5.10 -5.387775200e-01 -5.387775200e-01 5.12 -5.306493353e-01 -5.306493353e-01 5.14 -5.222421565e-01 -5.222421565e-01 5.16 -5.135753453e-01 -5.135753453e-01 5.18 -5.046681438e-01 -5.046681438e-01 5.20 -4.955396588e-01 -4.955396588e-01 5.22 -4.862088412e-01 -4.862088412e-01 5.24 -4.766949057e-01 -4.766949057e-01 5.26 -4.670246200e-01 -4.670246200e-01 5.28 -4.572060771e-01 -4.572060771e-01 5.30 -4.472575811e-01 -4.472575811e-01 5.32 -4.371971921e-01 -4.371971921e-01 5.34 -4.270425409e-01 -4.270425409e-01 5.36 -4.168105146e-01 -4.168105146e-01 5.38 -4.065178622e-01 -4.065178622e-01 5.40 -3.961808769e-01 -3.961808769e-01 5.42 -3.858153695e-01 -3.858153695e-01 5.44 -3.754366441e-01 -3.754366441e-01 5.46 -3.650594766e-01 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-1.311209142e-01 -1.311209142e-01 6.00 -1.244022247e-01 -1.244022247e-01