./iterations/neb0_image04_iter280.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.468296359921 0.261838240769 0.492073331229} O1 1 1
14 {} {0.326261128652 0.230409703946 0.566930567551} Si1 2 1
14 {} {0.600400707802 0.348072008062 0.449535675881} Si2 3 1
8 {} {0.563795184652 0.506165296638 0.433486887378} O2 4 1
8 {} {0.27942418192 0.350391810005 0.667358731617} O3 5 1
14 {} {0.234268324616 0.50420673589 0.699093019994} Si3 6 1
14 {} {0.588296076517 0.665678677922 0.403209093551} Si4 7 1
1 {} {0.344269422596 0.108707126057 0.64983681862} H1 8 1
1 {} {0.223225480438 0.212832386936 0.462164849074} H2 9 1
1 {} {0.649637606722 0.296640075188 0.318771376647} H3 10 1
1 {} {0.702586199983 0.331705414929 0.556743486351} H4 11 1
1 {} {0.107378882444 0.502012836612 0.777300390355} H5 12 1
1 {} {0.342185587819 0.572094445262 0.776392485687} H6 13 1
1 {} {0.469236998663 0.741804117972 0.448041396041} H7 14 1
1 {} {0.609291611661 0.684729592684 0.25641754834} H8 15 1
1 {} {0.708615007577 0.713495682421 0.478547989627} H10 16 1
8 {} {0.215157193103 0.576495161038 0.551453237278} O 17 1
1 {} {0.177759972615 0.665238436959 0.543701438496} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	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}}}
@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
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
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
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end