./iterations/neb0_image07_iter18.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469860941255 0.224065116164 0.485413169188} O1 1 1
14 {} {0.332424798727 0.228234522149 0.577113595496} Si1 2 1
14 {} {0.602805081824 0.309843285949 0.439979516972} Si2 3 1
8 {} {0.555201169996 0.462332938904 0.391016871978} O2 4 1
8 {} {0.330737867082 0.360187075763 0.671989151086} O3 5 1
14 {} {0.290634828216 0.521192532547 0.680689334307} Si3 6 1
14 {} {0.496510355833 0.610441466097 0.442303550753} Si4 7 1
1 {} {0.333382137479 0.109535613805 0.667832041294} H1 8 1
1 {} {0.215306942404 0.227582015318 0.482487991134} H2 9 1
1 {} {0.665388666941 0.235109091043 0.326457855141} H3 10 1
1 {} {0.697410658167 0.322979899568 0.555595423656} H4 11 1
1 {} {0.135664030698 0.518535731436 0.69493936642} H5 12 1
1 {} {0.342921657291 0.558489578453 0.820899346541} H6 13 1
1 {} {0.337395952166 0.81524466765 0.419040026177} H7 14 1
1 {} {0.521827820614 0.683404157357 0.304959778807} H8 15 1
1 {} {0.596282107047 0.676651970581 0.532089418794} H10 16 1
8 {} {0.360050093337 0.60384985494 0.548617469362} O 17 1
1 {} {0.326281036167 0.804838440659 0.489634097099} 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