./iterations/neb0_image03_iter72.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468074355776 0.23295479391 0.481303206617} O1 1 1
14 {} {0.330404504876 0.23742258713 0.570745406002} Si1 2 1
14 {} {0.590145185561 0.332634474581 0.433752874093} Si2 3 1
8 {} {0.529227401034 0.476800384769 0.387492100717} O2 4 1
8 {} {0.327209018224 0.369152546373 0.668188124218} O3 5 1
14 {} {0.272168624698 0.517829490278 0.709110566752} Si3 6 1
14 {} {0.529216100636 0.641798540279 0.388304015433} Si4 7 1
1 {} {0.327959635658 0.118184805953 0.659433924898} H1 8 1
1 {} {0.213583783923 0.239842807702 0.478877753414} H2 9 1
1 {} {0.65765613388 0.268549030118 0.317970153963} H3 10 1
1 {} {0.682351891557 0.352853725982 0.548672808125} H4 11 1
1 {} {0.123736938281 0.513967613153 0.72119249313} H5 12 1
1 {} {0.337361638461 0.560199785523 0.836274116046} H6 13 1
1 {} {0.392262868435 0.696383608004 0.368826627792} H7 14 1
1 {} {0.611536386888 0.688926749065 0.272892002378} H8 15 1
1 {} {0.593569688083 0.692916066214 0.513453205486} H10 16 1
8 {} {0.316328668113 0.618424474467 0.584345355584} O 17 1
1 {} {0.30729328755 0.713676470074 0.590223271993} 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