./iterations/neb0_image02_iter178.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 {} {0.463899216307 0.253913097773 0.490692429744} O1 1 1
14 {} {0.328313391656 0.239441605138 0.582043834685} Si1 2 1
14 {} {0.585993322357 0.344485614923 0.429779733898} Si2 3 1
8 {} {0.528742489057 0.486164130795 0.369833932966} O2 4 1
8 {} {0.319054378417 0.361268819441 0.692255995357} O3 5 1
14 {} {0.250806681093 0.507512464996 0.726228739203} Si3 6 1
14 {} {0.551515568126 0.649185889355 0.361790622178} Si4 7 1
1 {} {0.337939672187 0.110755835629 0.656341295383} H1 8 1
1 {} {0.209313880483 0.241680493766 0.491807664081} H2 9 1
1 {} {0.646743013608 0.26647825434 0.318717131959} H3 10 1
1 {} {0.684354385772 0.373336355916 0.538422623816} H4 11 1
1 {} {0.103763035189 0.491263649342 0.741973575279} H5 12 1
1 {} {0.317856279916 0.556807354082 0.85004749915} H6 13 1
1 {} {0.424157400558 0.714216144716 0.318743655451} H7 14 1
1 {} {0.659844310608 0.681072217789 0.264650331457} H8 15 1
1 {} {0.590051322318 0.701967479018 0.496553249225} H10 16 1
8 {} {0.267232855102 0.614711990523 0.602091385201} O 17 1
1 {} {0.340504897265 0.678256523945 0.599084456523} 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