iterations/neb0_image08_iter105.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.471288586283 0.220293066713 0.489896469362} O1 1 1
14 {} {0.332305896306 0.220634302642 0.577557614568} Si1 2 1
14 {} {0.603216517288 0.306752854927 0.445035825826} Si2 3 1
8 {} {0.56295140041 0.459779578427 0.401641053381} O2 4 1
8 {} {0.327587420827 0.350843979061 0.677857941866} O3 5 1
14 {} {0.299178874248 0.513047336626 0.676079339536} Si3 6 1
14 {} {0.505756498655 0.604205537447 0.453498485581} Si4 7 1
1 {} {0.329062867904 0.0990563142592 0.661950533399} H1 8 1
1 {} {0.217601112308 0.227497511782 0.483295668734} H2 9 1
1 {} {0.663229690092 0.242728141175 0.32550733398} H3 10 1
1 {} {0.698198289254 0.313784945426 0.559531378822} H4 11 1
1 {} {0.152872993832 0.538721102206 0.666009268862} H5 12 1
1 {} {0.356570574129 0.569775342614 0.801006082099} H6 13 1
1 {} {0.332783357945 0.852343497585 0.420027847835} H7 14 1
1 {} {0.474052068293 0.682438016451 0.33178045883} H8 15 1
1 {} {0.608803370136 0.67234086702 0.535972179073} H10 16 1
8 {} {0.370790357792 0.582276549808 0.54491750656} O 17 1
1 {} {0.30383627534 0.815999034742 0.479492962266} H14 18 1
@end
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	Constraints	string	{a b c A B G}
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	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}}}
@end
@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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@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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12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
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	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end