# 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 = Cl2IdK # 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 nan nan 1.30 nan 3.877173383e+05 1.32 nan nan 1.34 nan nan 1.36 2.086684053e+05 2.086684053e+05 1.38 1.707722966e+05 1.707722966e+05 1.40 1.401636264e+05 1.401636264e+05 1.42 1.153647561e+05 1.153647561e+05 1.44 9.521309182e+04 9.521309182e+04 1.46 7.878993344e+04 7.878993344e+04 1.48 6.536756470e+04 6.536756470e+04 1.50 5.436781983e+04 5.436781983e+04 1.52 4.532918701e+04 4.532918701e+04 1.54 3.788284258e+04 3.788284258e+04 1.56 3.173300374e+04 3.173300374e+04 1.58 2.664125200e+04 2.664125200e+04 1.60 2.241551337e+04 2.241551337e+04 1.62 1.890039780e+04 1.890039780e+04 1.64 1.596980229e+04 1.596980229e+04 1.66 1.352106471e+04 1.352106471e+04 1.68 1.147055915e+04 1.147055915e+04 1.70 9.749915092e+03 9.749915092e+03 1.72 8.303173678e+03 8.303173678e+03 1.74 7.084235779e+03 7.084235779e+03 1.76 6.055234859e+03 6.055234859e+03 1.78 5.184923521e+03 5.184923521e+03 1.80 4.447464101e+03 4.447464101e+03 1.82 3.821483280e+03 3.821483280e+03 1.84 3.289141683e+03 3.289141683e+03 1.86 2.835643992e+03 2.835643992e+03 1.88 2.448659043e+03 2.448659043e+03 1.90 2.117887852e+03 2.117887852e+03 1.92 1.834724503e+03 1.834724503e+03 1.94 1.591935785e+03 1.591935785e+03 1.96 1.383410942e+03 1.383410942e+03 1.98 1.204040199e+03 1.204040199e+03 2.00 1.049514507e+03 1.049514507e+03 2.02 9.162073293e+02 9.162073293e+02 2.04 8.010236688e+02 8.010236688e+02 2.06 7.013569606e+02 7.013569606e+02 2.08 6.150103399e+02 6.150103399e+02 2.10 5.400815337e+02 5.400815337e+02 2.12 4.749699773e+02 4.749699773e+02 2.14 4.183114424e+02 4.183114424e+02 2.16 3.689412967e+02 3.689412967e+02 2.18 3.258633912e+02 3.258633912e+02 2.20 2.882256713e+02 2.882256713e+02 2.22 2.552969735e+02 2.552969735e+02 2.24 2.264497379e+02 2.264497379e+02 2.26 2.011487169e+02 2.011487169e+02 2.28 1.789240977e+02 1.789240977e+02 2.30 1.593773111e+02 1.593773111e+02 2.32 1.421617466e+02 1.421617466e+02 2.34 1.269752401e+02 1.269752401e+02 2.36 1.135632511e+02 1.135632511e+02 2.38 1.017022372e+02 1.017022372e+02 2.40 9.119845261e+01 9.119845261e+01 2.42 8.188378633e+01 8.188378633e+01 2.44 7.361217138e+01 7.361217138e+01 2.46 6.625661731e+01 6.625661731e+01 2.48 5.970665427e+01 5.970665427e+01 2.50 5.387063314e+01 5.387063314e+01 2.52 4.866040833e+01 4.866040833e+01 2.54 4.400125028e+01 4.400125028e+01 2.56 3.982810140e+01 3.982810140e+01 2.58 3.608658740e+01 3.608658740e+01 2.60 3.272787200e+01 3.272787200e+01 2.62 2.970912311e+01 2.970912311e+01 2.64 2.699280265e+01 2.699280265e+01 2.66 2.454568159e+01 2.454568159e+01 2.68 2.233860186e+01 2.233860186e+01 2.70 2.034572996e+01 2.034572996e+01 2.72 1.854431524e+01 1.854431524e+01 2.74 1.691429934e+01 1.691429934e+01 2.76 1.543828469e+01 1.543828469e+01 2.78 1.409946566e+01 1.409946566e+01 2.80 1.288458371e+01 1.288458371e+01 2.82 1.178108848e+01 1.178108848e+01 2.84 1.077848429e+01 1.077848429e+01 2.86 9.865816432e+00 9.865816432e+00 2.88 9.034462963e+00 9.034462963e+00 2.90 8.276551256e+00 8.276551256e+00 2.92 7.584969760e+00 7.584969760e+00 2.94 6.953389626e+00 6.953389626e+00 2.96 6.376050170e+00 6.376050170e+00 2.98 5.847820634e+00 5.847820634e+00 3.00 5.364089331e+00 5.364089331e+00 3.02 4.920705226e+00 4.920705226e+00 3.04 4.513928484e+00 4.513928484e+00 3.06 4.140359264e+00 4.140359264e+00 3.08 3.796942897e+00 3.796942897e+00 3.10 3.480994343e+00 3.480994343e+00 3.12 3.190048533e+00 3.190048533e+00 3.14 2.921853728e+00 2.921853728e+00 3.16 2.674382763e+00 2.674382763e+00 3.18 2.445779868e+00 2.445779868e+00 3.20 2.234406210e+00 2.234406210e+00 3.22 2.038836582e+00 2.038836582e+00 3.24 1.857732773e+00 1.857732773e+00 3.26 1.689888732e+00 1.689888732e+00 3.28 1.534220007e+00 1.534220007e+00 3.30 1.389407545e+00 1.389407545e+00 3.32 1.254900862e+00 1.254900862e+00 3.34 1.129980125e+00 1.129980125e+00 3.36 1.013890845e+00 1.013890845e+00 3.38 9.060283932e-01 9.060283932e-01 3.40 8.057713066e-01 8.057713066e-01 3.42 7.124265147e-01 7.124265147e-01 3.44 6.254649134e-01 6.254649134e-01 3.46 5.444089030e-01 5.444089030e-01 3.48 4.688097037e-01 4.688097037e-01 3.50 3.982515069e-01 3.982515069e-01 3.52 3.323526466e-01 3.323526466e-01 3.54 2.707548959e-01 2.707548959e-01 3.56 2.131265570e-01 2.131265570e-01 3.58 1.591608885e-01 1.591608885e-01 3.60 1.085746841e-01 1.085746841e-01 3.62 6.110724012e-02 6.110724012e-02 3.64 1.600608510e-02 1.600608510e-02 3.66 -2.660046225e-02 -2.660046225e-02 3.68 -6.656801745e-02 -6.656801745e-02 3.70 -1.040868785e-01 -1.040868785e-01 3.72 -1.393502014e-01 -1.393502014e-01 3.74 -1.725688628e-01 -1.725688628e-01 3.76 -2.038949856e-01 -2.038949856e-01 3.78 -2.334625433e-01 -2.334625433e-01 3.80 -2.613914195e-01 -2.613914195e-01 3.82 -2.877892207e-01 -2.877892207e-01 3.84 -3.127506267e-01 -3.127506267e-01 3.86 -3.363601633e-01 -3.363601633e-01 3.88 -3.586935386e-01 -3.586935386e-01 3.90 -3.798188023e-01 -3.798188023e-01 3.92 -3.997973352e-01 -3.997973352e-01 3.94 -4.186846816e-01 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