./iterations/neb0_image05_iter248.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.472100484405 0.258511766594 0.490413253639} O1 1 1
14 {} {0.324621573781 0.22909944519 0.558898651841} Si1 2 1
14 {} {0.608377381387 0.346520233524 0.471518983666} Si2 3 1
8 {} {0.581893912528 0.502750778768 0.514975518599} O2 4 1
8 {} {0.264618511479 0.365904760882 0.624855763941} O3 5 1
14 {} {0.236918370138 0.52378806177 0.659082927417} Si3 6 1
14 {} {0.574546531691 0.656461517797 0.453721800738} Si4 7 1
1 {} {0.338999595838 0.126980150775 0.666802075962} H1 8 1
1 {} {0.23466744034 0.182226197582 0.450197672436} H2 9 1
1 {} {0.648170403907 0.337582420556 0.327863165787} H3 10 1
1 {} {0.714633597746 0.289620727702 0.557840414934} H4 11 1
1 {} {0.135931546011 0.531088490729 0.769473045068} H5 12 1
1 {} {0.363624822387 0.590304258944 0.695742640007} H6 13 1
1 {} {0.513229296475 0.74955339356 0.552643528634} H7 14 1
1 {} {0.484694866587 0.652258544032 0.333562762815} H8 15 1
1 {} {0.709924316588 0.707642555666 0.420435820531} H10 16 1
8 {} {0.17160193476 0.60432544448 0.529022073386} O 17 1
1 {} {0.231531447729 0.617899333749 0.454008089661} 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