./iterations/neb0_image04_iter272.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 {} {0.468204868631 0.262749289167 0.492318985951} O1 1 1
14 {} {0.327166973624 0.230212483152 0.567230626032} Si1 2 1
14 {} {0.599920341694 0.348385645395 0.448961589825} Si2 3 1
8 {} {0.563335789842 0.506260047498 0.431172642789} O2 4 1
8 {} {0.279628943561 0.348916209315 0.668200004699} O3 5 1
14 {} {0.235555954463 0.503861351934 0.699309997393} Si3 6 1
14 {} {0.587332629971 0.665823616067 0.402192251628} Si4 7 1
1 {} {0.344029145329 0.107448714394 0.648819219423} H1 8 1
1 {} {0.221752242471 0.213765496431 0.463681547584} H2 9 1
1 {} {0.648864801597 0.295358543377 0.319845772381} H3 10 1
1 {} {0.70145028463 0.333552650014 0.555926067774} H4 11 1
1 {} {0.106881926228 0.502778107155 0.775088776155} H5 12 1
1 {} {0.342329972791 0.569360295527 0.780036380063} H6 13 1
1 {} {0.466934080999 0.741820982591 0.445220515093} H7 14 1
1 {} {0.610934692475 0.685716136843 0.256483802172} H8 15 1
1 {} {0.705192698314 0.71426365982 0.479527427897} H10 16 1
8 {} {0.220395309947 0.577296031799 0.551805315698} O 17 1
1 {} {0.180175272599 0.664948497483 0.545237388631} 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