./iterations/neb0_image07_iter137.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 {} {0.470080957921 0.23177692763 0.492569820859} O1 1 1
14 {} {0.330307381219 0.222467529642 0.578170544509} Si1 2 1
14 {} {0.609214993439 0.308019900545 0.44887784201} Si2 3 1
8 {} {0.585248528907 0.467697169607 0.413894085572} O2 4 1
8 {} {0.317490877727 0.351827298952 0.679297733148} O3 5 1
14 {} {0.295789042072 0.51438425043 0.663870583394} Si3 6 1
14 {} {0.501424563083 0.6043386037 0.447182065217} Si4 7 1
1 {} {0.332907224371 0.0990102221848 0.659839692408} H1 8 1
1 {} {0.216065616766 0.219401523031 0.482338971617} H2 9 1
1 {} {0.659993204398 0.237450327712 0.328065126216} H3 10 1
1 {} {0.706547372588 0.30124628204 0.561807281088} H4 11 1
1 {} {0.150736805308 0.544478445957 0.659502810536} H5 12 1
1 {} {0.36495140609 0.581307694263 0.777246966254} H6 13 1
1 {} {0.348506573084 0.854494587899 0.459434328075} H7 14 1
1 {} {0.457340290833 0.672623911427 0.322262674867} H8 15 1
1 {} {0.586072128195 0.692277866603 0.531554035309} H10 16 1
8 {} {0.360374062455 0.566517933516 0.523170203648} O 17 1
1 {} {0.317035026811 0.803197396941 0.501973141878} 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