iterations/neb0_image07_iter124.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.469947007993 0.225350864467 0.49088079154} O1 1 1
14 {} {0.330464384074 0.222508004432 0.578077265089} Si1 2 1
14 {} {0.603927611539 0.310039081071 0.447169206986} Si2 3 1
8 {} {0.569047006903 0.464891380649 0.406929365679} O2 4 1
8 {} {0.322805032902 0.352388832922 0.679164219945} O3 5 1
14 {} {0.297474764602 0.515200549579 0.672117133276} Si3 6 1
14 {} {0.50375064528 0.609109115448 0.449830900443} Si4 7 1
1 {} {0.329086019533 0.0995009065071 0.661521388729} H1 8 1
1 {} {0.21472019255 0.22553236156 0.483825348799} H2 9 1
1 {} {0.65813664424 0.24575646046 0.32512433441} H3 10 1
1 {} {0.700767774849 0.314600019268 0.560722829122} H4 11 1
1 {} {0.151549937981 0.541935454718 0.664096114975} H5 12 1
1 {} {0.358555890607 0.574509781414 0.794133454667} H6 13 1
1 {} {0.348699326556 0.834349189937 0.438269647936} H7 14 1
1 {} {0.474685642596 0.678934919842 0.322302787836} H8 15 1
1 {} {0.597245142663 0.690061946045 0.534238903397} H10 16 1
8 {} {0.365990688333 0.578975919711 0.536717467982} O 17 1
1 {} {0.313232389211 0.788873128963 0.485936776552} H14 18 1
@end
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	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
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	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
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@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
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	Atom2	reference	AsymmetricAtom
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@data
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10 2 0 0
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@end
@Columns Bond
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	CellOffset2	int	{{0 0 0}}
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@data
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9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
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@end
@data
@end