iterations/neb0_image08_iter26.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.471066232648 0.219696928807 0.489012293981} O1 1 1
14 {} {0.334416109935 0.223770671992 0.581193660203} Si1 2 1
14 {} {0.601383965971 0.306663927502 0.442242486625} Si2 3 1
8 {} {0.552956225529 0.45789009419 0.399170553853} O2 4 1
8 {} {0.330399295241 0.358354432029 0.671772049007} O3 5 1
14 {} {0.294089094882 0.518961597885 0.675068784495} Si3 6 1
14 {} {0.50476877089 0.605153728669 0.449003173164} Si4 7 1
1 {} {0.336737004511 0.106868926713 0.674002518913} H1 8 1
1 {} {0.216659453211 0.219563135804 0.488688266588} H2 9 1
1 {} {0.662151515576 0.234018279309 0.326665094816} H3 10 1
1 {} {0.699173164528 0.316780784872 0.55473767155} H4 11 1
1 {} {0.147057487911 0.528937798654 0.67705711183} H5 12 1
1 {} {0.344432457842 0.566714524626 0.804579013103} H6 13 1
1 {} {0.330846464249 0.841046043425 0.415534741554} H7 14 1
1 {} {0.496837991116 0.677615718858 0.319721968412} H8 15 1
1 {} {0.602854498266 0.671555118274 0.534759900058} H10 16 1
8 {} {0.366191721384 0.590000001115 0.54056439575} O 17 1
1 {} {0.318064684375 0.828926254608 0.487284324805} 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
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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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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