# 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 = BrClId2 # 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 1.484398110e+03 1.484398110e+03 1.28 1.402736256e+03 1.402736256e+03 1.30 1.326291659e+03 1.326291659e+03 1.32 1.254674639e+03 1.254674639e+03 1.34 1.187518362e+03 1.187518362e+03 1.36 1.124493511e+03 1.124493511e+03 1.38 1.065301237e+03 1.065301237e+03 1.40 1.009659073e+03 1.009659073e+03 1.42 9.573134429e+02 9.573134429e+02 1.44 9.080323231e+02 9.080323231e+02 1.46 8.616098991e+02 8.616098991e+02 1.48 8.178495815e+02 8.178495815e+02 1.50 7.765750983e+02 7.765750983e+02 1.52 7.376235292e+02 7.376235292e+02 1.54 7.008462746e+02 7.008462746e+02 1.56 6.661070812e+02 6.661070812e+02 1.58 6.332775065e+02 6.332775065e+02 1.60 6.022417442e+02 6.022417442e+02 1.62 5.728873112e+02 5.728873112e+02 1.64 5.451148651e+02 5.451148651e+02 1.66 5.188270458e+02 5.188270458e+02 1.68 4.939322862e+02 4.939322862e+02 1.70 4.703415707e+02 4.703415707e+02 1.72 4.479769407e+02 4.479769407e+02 1.74 4.267640799e+02 4.267640799e+02 1.76 4.066348231e+02 4.066348231e+02 1.78 3.875228218e+02 3.875228218e+02 1.80 3.693705328e+02 3.693705328e+02 1.82 3.521214705e+02 3.521214705e+02 1.84 3.357253695e+02 3.357253695e+02 1.86 3.201348348e+02 3.201348348e+02 1.88 3.053075970e+02 3.053075970e+02 1.90 2.912024191e+02 2.912024191e+02 1.92 2.777822813e+02 2.777822813e+02 1.94 2.650113269e+02 2.650113269e+02 1.96 2.528550803e+02 2.528550803e+02 1.98 2.412835685e+02 2.412835685e+02 2.00 2.302661840e+02 2.302661840e+02 2.02 2.197731073e+02 2.197731073e+02 2.04 2.097769716e+02 2.097769716e+02 2.06 2.002522722e+02 2.002522722e+02 2.08 1.911766458e+02 1.911766458e+02 2.10 1.825258880e+02 1.825258880e+02 2.12 1.742797499e+02 1.742797499e+02 2.14 1.664176921e+02 1.664176921e+02 2.16 1.589214923e+02 1.589214923e+02 2.18 1.517728750e+02 1.517728750e+02 2.20 1.449545816e+02 1.449545816e+02 2.22 1.384502313e+02 1.384502313e+02 2.24 1.322442109e+02 1.322442109e+02 2.26 1.263212255e+02 1.263212255e+02 2.28 1.206674578e+02 1.206674578e+02 2.30 1.152692523e+02 1.152692523e+02 2.32 1.101130982e+02 1.101130982e+02 2.34 1.051851425e+02 1.051851425e+02 2.36 1.004760264e+02 1.004760264e+02 2.38 9.597364098e+01 9.597364098e+01 2.40 9.166806317e+01 9.166806317e+01 2.42 8.754948699e+01 8.754948699e+01 2.44 8.360827819e+01 8.360827819e+01 2.46 7.983590278e+01 7.983590278e+01 2.48 7.622444694e+01 7.622444694e+01 2.50 7.276645852e+01 7.276645852e+01 2.52 6.945506979e+01 6.945506979e+01 2.54 6.628394471e+01 6.628394471e+01 2.56 6.324722403e+01 6.324722403e+01 2.58 6.033946973e+01 6.033946973e+01 2.60 5.755519139e+01 5.755519139e+01 2.62 5.488895538e+01 5.488895538e+01 2.64 5.233781610e+01 5.233781610e+01 2.66 4.989746721e+01 4.989746721e+01 2.68 4.756371420e+01 4.756371420e+01 2.70 4.533254911e+01 4.533254911e+01 2.72 4.320011845e+01 4.320011845e+01 2.74 4.116269748e+01 4.116269748e+01 2.76 3.921667033e+01 3.921667033e+01 2.78 3.735751566e+01 3.735751566e+01 2.80 3.558309395e+01 3.558309395e+01 2.82 3.388996806e+01 3.388996806e+01 2.84 3.227403611e+01 3.227403611e+01 2.86 3.073229508e+01 3.073229508e+01 2.88 2.926238253e+01 2.926238253e+01 2.90 2.786110190e+01 2.786110190e+01 2.92 2.652530447e+01 2.652530447e+01 2.94 2.525193249e+01 2.525193249e+01 2.96 2.403801572e+01 2.403801572e+01 2.98 2.288064460e+01 2.288064460e+01 3.00 2.177700960e+01 2.177700960e+01 3.02 2.072445813e+01 2.072445813e+01 3.04 1.972036848e+01 1.972036848e+01 3.06 1.876221632e+01 1.876221632e+01 3.08 1.784757966e+01 1.784757966e+01 3.10 1.697414399e+01 1.697414399e+01 3.12 1.613970719e+01 1.613970719e+01 3.14 1.534218392e+01 1.534218392e+01 3.16 1.457960888e+01 1.457960888e+01 3.18 1.385006794e+01 1.385006794e+01 3.20 1.315184497e+01 1.315184497e+01 3.22 1.248344870e+01 1.248344870e+01 3.24 1.184338865e+01 1.184338865e+01 3.26 1.123029053e+01 1.123029053e+01 3.28 1.064288999e+01 1.064288999e+01 3.30 1.008002510e+01 1.008002510e+01 3.32 9.540627869e+00 9.540627869e+00 3.34 9.023715151e+00 9.023715151e+00 3.36 8.528364021e+00 8.528364021e+00 3.38 8.053500006e+00 8.053500006e+00 3.40 7.598655629e+00 7.598655629e+00 3.42 7.163079189e+00 7.163079189e+00 3.44 6.746062058e+00 6.746062058e+00 3.46 6.346931199e+00 6.346931199e+00 3.48 5.965042777e+00 5.965042777e+00 3.50 5.599776811e+00 5.599776811e+00 3.52 5.250532862e+00 5.250532862e+00 3.54 4.916726729e+00 4.916726729e+00 3.56 4.597788044e+00 4.597788044e+00 3.58 4.293158679e+00 4.293158679e+00 3.60 4.002291842e+00 4.002291842e+00 3.62 3.724651716e+00 3.724651716e+00 3.64 3.459200272e+00 3.459200272e+00 3.66 3.205771228e+00 3.205771228e+00 3.68 2.964041327e+00 2.964041327e+00 3.70 2.733672684e+00 2.733672684e+00 3.72 2.513800593e+00 2.513800593e+00 3.74 2.304268044e+00 2.304268044e+00 3.76 2.104750614e+00 2.104750614e+00 3.78 1.914775004e+00 1.914775004e+00 3.80 1.733892354e+00 1.733892354e+00 3.82 1.561677294e+00 1.561677294e+00 3.84 1.397727009e+00 1.397727009e+00 3.86 1.241660323e+00 1.241660323e+00 3.88 1.093116820e+00 1.093116820e+00 3.90 9.517559614e-01 9.517559614e-01 3.92 8.172562336e-01 8.172562336e-01 3.94 6.893142936e-01 6.893142936e-01 3.96 5.676441192e-01 5.676441192e-01 3.98 4.519761570e-01 4.519761570e-01 4.00 3.420564641e-01 3.420564641e-01 4.02 2.376458441e-01 2.376458441e-01 4.04 1.382882880e-01 1.382882880e-01 4.06 4.402199242e-02 4.402199242e-02 4.08 -4.532397307e-02 -4.532397307e-02 4.10 -1.299477766e-01 -1.299477766e-01 4.12 -2.100357272e-01 -2.100357272e-01 4.14 -2.857632829e-01 -2.857632829e-01 4.16 -3.572960259e-01 -3.572960259e-01 4.18 -4.247905949e-01 -4.247905949e-01 4.20 -4.883955657e-01 -4.883955657e-01 4.22 -5.483318382e-01 -5.483318382e-01 4.24 -6.046621837e-01 -6.046621837e-01 4.26 -6.574886089e-01 -6.574886089e-01 4.28 -7.069384079e-01 -7.069384079e-01 4.30 -7.531337251e-01 -7.531337251e-01 4.32 -7.961920963e-01 -7.961920963e-01 4.34 -8.362269237e-01 -8.362269237e-01 4.36 -8.733478865e-01 -8.733478865e-01 4.38 -9.076612925e-01 -9.076612925e-01 4.40 -9.392703767e-01 -9.392703767e-01 4.42 -9.682755512e-01 -9.682755512e-01 4.44 -9.947746141e-01 -9.947746141e-01 4.46 -1.018862921e+00 -1.018862921e+00 4.48 -1.040633526e+00 -1.040633526e+00 4.50 -1.060350704e+00 -1.060350704e+00 4.52 -1.077953524e+00 -1.077953524e+00 4.54 -1.093461507e+00 -1.093461507e+00 4.56 -1.106967019e+00 -1.106967019e+00 4.58 -1.118559398e+00 -1.118559398e+00 4.60 -1.128325112e+00 -1.128325112e+00 4.62 -1.136347910e+00 -1.136347910e+00 4.64 -1.142708956e+00 -1.142708956e+00 4.66 -1.147486943e+00 -1.147486943e+00 4.68 -1.150758195e+00 -1.150758195e+00 4.70 -1.152596755e+00 -1.152596755e+00 4.72 -1.153074450e+00 -1.153074450e+00 4.74 -1.152260951e+00 -1.152260951e+00 4.76 -1.150223813e+00 -1.150223813e+00 4.78 -1.147028508e+00 -1.147028508e+00 4.80 -1.142738446e+00 -1.142738446e+00 4.82 -1.137414980e+00 -1.137414980e+00 4.84 -1.131117419e+00 -1.131117419e+00 4.86 -1.123903017e+00 -1.123903017e+00 4.88 -1.115826969e+00 -1.115826969e+00 4.90 -1.106942403e+00 -1.106942403e+00 4.92 -1.097300370e+00 -1.097300370e+00 4.94 -1.086949835e+00 -1.086949835e+00 4.96 -1.075937667e+00 -1.075937667e+00 4.98 -1.064308643e+00 -1.064308643e+00 5.00 -1.052105448e+00 -1.052105448e+00 5.02 -1.039368684e+00 -1.039368684e+00 5.04 -1.026136890e+00 -1.026136890e+00 5.06 -1.012446567e+00 -1.012446567e+00 5.08 -9.983322128e-01 -9.983322128e-01 5.10 -9.838263680e-01 -9.838263680e-01 5.12 -9.689596689e-01 -9.689596689e-01 5.14 -9.537609129e-01 -9.537609129e-01 5.16 -9.382571314e-01 -9.382571314e-01 5.18 -9.224736722e-01 -9.224736722e-01 5.20 -9.064342909e-01 -9.064342909e-01 5.22 -8.901612493e-01 -8.901612493e-01 5.24 -8.736754205e-01 -8.736754205e-01 5.26 -8.569964001e-01 -8.569964001e-01 5.28 -8.401426218e-01 -8.401426218e-01 5.30 -8.231314761e-01 -8.231314761e-01 5.32 -8.059794314e-01 -8.059794314e-01 5.34 -7.887021559e-01 -7.887021559e-01 5.36 -7.713146386e-01 -7.713146386e-01 5.38 -7.538313085e-01 -7.538313085e-01 5.40 -7.362661511e-01 -7.362661511e-01 5.42 -7.186328199e-01 -7.186328199e-01 5.44 -7.009447422e-01 -7.009447422e-01 5.46 -6.832152192e-01 -6.832152192e-01 5.48 -6.654575167e-01 -6.654575167e-01 5.50 -6.476849485e-01 -6.476849485e-01 5.52 -6.299109492e-01 -6.299109492e-01 5.54 -6.121491376e-01 -6.121491376e-01 5.56 -5.944133680e-01 -5.944133680e-01 5.58 -5.767177717e-01 -5.767177717e-01 5.60 -5.590767853e-01 -5.590767853e-01 5.62 -5.415051679e-01 -5.415051679e-01 5.64 -5.240180065e-01 -5.240180065e-01 5.66 -5.066307089e-01 -5.066307089e-01 5.68 -4.893589858e-01 -4.893589858e-01 5.70 -4.722188206e-01 -4.722188206e-01 5.72 -4.552264300e-01 -4.552264300e-01 5.74 -4.383982130e-01 -4.383982130e-01 5.76 -4.217506917e-01 -4.217506917e-01 5.78 -4.053004431e-01 -4.053004431e-01 5.80 -3.890640243e-01 -3.890640243e-01 5.82 -3.730713302e-01 -3.730713302e-01 5.84 -3.574324493e-01 -3.574324493e-01 5.86 -3.420369781e-01 -3.420369781e-01 5.88 -3.269029931e-01 -3.269029931e-01 5.90 -3.120478029e-01 -3.120478029e-01 5.92 -2.974879224e-01 -2.974879224e-01 5.94 -2.832389990e-01 -2.832389990e-01 5.96 -2.693157407e-01 -2.693157407e-01 5.98 -2.557318469e-01 -2.557318469e-01 6.00 -2.424999448e-01 -2.424999448e-01