./iterations/neb0_image06_iter16.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469705691845 0.226805611735 0.483172390413} O1 1 1
14 {} {0.331381105899 0.231271839036 0.574567087159} Si1 2 1
14 {} {0.602765603303 0.310812183826 0.439580216004} Si2 3 1
8 {} {0.555845875429 0.464606552331 0.386107876541} O2 4 1
8 {} {0.332102488446 0.361193757922 0.669390336859} O3 5 1
14 {} {0.283975653666 0.522058680627 0.690620358271} Si3 6 1
14 {} {0.50507498395 0.61705227544 0.42755687613} Si4 7 1
1 {} {0.331303701594 0.111779289167 0.66403675416} H1 8 1
1 {} {0.214942105668 0.232329154644 0.479443056453} H2 9 1
1 {} {0.66679869727 0.236980540682 0.326653107219} H3 10 1
1 {} {0.695921715741 0.326901947492 0.555502785344} H4 11 1
1 {} {0.129750783563 0.512848677962 0.704446007015} H5 12 1
1 {} {0.342776019026 0.554175843902 0.829164425073} H6 13 1
1 {} {0.345094687853 0.796813653783 0.417470521698} H7 14 1
1 {} {0.539407544841 0.688800618738 0.291216136894} H8 15 1
1 {} {0.591339874718 0.679183665193 0.531272586273} H10 16 1
8 {} {0.341864254007 0.621137080922 0.563162473826} O 17 1
1 {} {0.330035362083 0.777766584886 0.497695003969} 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