./iterations/neb0_image03_iter243.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 {} {0.455551549166 0.26793122551 0.48964210434} O1 1 1
14 {} {0.323304760681 0.239109743538 0.581690576806} Si1 2 1
14 {} {0.58377748794 0.350456651064 0.429818893831} Si2 3 1
8 {} {0.534855046646 0.494987482792 0.367933112355} O2 4 1
8 {} {0.303134963353 0.352520447792 0.698310823349} O3 5 1
14 {} {0.25499789394 0.504411419102 0.738262503397} Si3 6 1
14 {} {0.565440386713 0.657238293237 0.361090200783} Si4 7 1
1 {} {0.341279544137 0.108436595678 0.648579561436} H1 8 1
1 {} {0.206549702165 0.239411241067 0.489803008486} H2 9 1
1 {} {0.643327554939 0.269386333508 0.319211811097} H3 10 1
1 {} {0.683188326631 0.37591031739 0.539057266174} H4 11 1
1 {} {0.105879089246 0.506608781463 0.741462024643} H5 12 1
1 {} {0.31660021958 0.537334947797 0.869417587321} H6 13 1
1 {} {0.435257372863 0.724295892553 0.328799271665} H7 14 1
1 {} {0.665757111858 0.685623275219 0.254570326261} H8 15 1
1 {} {0.620075044671 0.707916583009 0.491219931375} H10 16 1
8 {} {0.309600501102 0.618854706484 0.632596331785} O 17 1
1 {} {0.261509618828 0.63208412903 0.549592297691} 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