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Our calculations were carried out by employing the SAMOA (Structure and Molecular Orbital Analyzer) program package (Dai, D.; Ren, J.; Liang, W.; Whangbo, M.-H., http://chvamw.chem.ncsu.edu/, 2002).
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32
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0141616327
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note
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This expression is valid when spin exchange parameters of a spin Hamiltonian are written as J instead of 2J.
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