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# encoding: utf-8
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name = "Surface Adsorption Corrections Ni(111)"
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+ metal = 'Ni'
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+ facet = '111'
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shortDesc = u"Surface adsorption Ni(111), Goldsmith 2016"
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longDesc = u"""
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Changes due to adsorbing on a surface.
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x
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***********
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This node should be empty, ensuring that one of the nodes below is used.
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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x <--(single, double, triple, or quadruple bond)
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********
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Data made up. Do not use!
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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This binds too strongly and won't desorb until ~2500K, so we're trying
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-2 kcal/mol and -15 cal/mol/K
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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C
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x
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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O
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x
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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R-C
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|||
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R-C-R
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||
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R-C-R
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|
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R2-C-R2
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:
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R-O-R
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:
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R--C--R
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|| |
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R2--C--R
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| |
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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R-C-OR
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|
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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O-R
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:
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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entry (
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RO--C--R
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|| |
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***********
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- """ ,
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- metal = "Ni" ,
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- facet = "111" ,
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+ """
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)
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tree (
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