./iterations/neb0_image02_iter123.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467870188544 0.239843467777 0.480481971364} O1 1 1
14 {} {0.329660157202 0.242528051959 0.569063207215} Si1 2 1
14 {} {0.593348040969 0.333917915181 0.431585697428} Si2 3 1
8 {} {0.538271930936 0.477075676834 0.374154399235} O2 4 1
8 {} {0.32838130842 0.372662959522 0.668949443032} O3 5 1
14 {} {0.262623273721 0.515367869403 0.717069579511} Si3 6 1
14 {} {0.534939910162 0.64170230905 0.375225809794} Si4 7 1
1 {} {0.326851246402 0.119318086647 0.652399047979} H1 8 1
1 {} {0.212650065487 0.247874473794 0.477011280224} H2 9 1
1 {} {0.66105789257 0.26118475273 0.321364954108} H3 10 1
1 {} {0.683908824268 0.358550059231 0.547386642451} H4 11 1
1 {} {0.117208152592 0.495620413569 0.738231996647} H5 12 1
1 {} {0.334325920364 0.556911195426 0.840892866761} H6 13 1
1 {} {0.39639087829 0.689608988436 0.34810465484} H7 14 1
1 {} {0.626892713306 0.693407685584 0.269920661496} H8 15 1
1 {} {0.579892742004 0.693308514127 0.508603627097} H10 16 1
8 {} {0.275903837087 0.630620174965 0.599796711234} O 17 1
1 {} {0.339909029517 0.703015388514 0.610815469469} 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
12 5 0 0
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