./iterations/neb0_image05_iter266.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470229037797 0.26449712767 0.489853195228} O1 1 1
14 {} {0.323853258876 0.233124349917 0.557799455808} Si1 2 1
14 {} {0.611021701102 0.345886991384 0.47309007135} Si2 3 1
8 {} {0.597579285861 0.502560331825 0.522806392698} O2 4 1
8 {} {0.253366213735 0.366345277023 0.621662391218} O3 5 1
14 {} {0.234866609327 0.525621324669 0.656033889507} Si3 6 1
14 {} {0.577459451124 0.655503152308 0.46027555602} Si4 7 1
1 {} {0.341096702715 0.135711799194 0.668840783567} H1 8 1
1 {} {0.240881677654 0.179402448785 0.446492833579} H2 9 1
1 {} {0.647565654597 0.343470225074 0.328699021691} H3 10 1
1 {} {0.716049248709 0.28323923778 0.557780028916} H4 11 1
1 {} {0.134231500763 0.539134018162 0.762390072394} H5 12 1
1 {} {0.365565071279 0.582807892155 0.702132682229} H6 13 1
1 {} {0.53045831314 0.752314843551 0.563129711495} H7 14 1
1 {} {0.475580772374 0.649556183412 0.350616334935} H8 15 1
1 {} {0.707648637478 0.705618755957 0.406141110338} H10 16 1
8 {} {0.169577574555 0.601928069048 0.525120514725} O 17 1
1 {} {0.213055343646 0.605796093834 0.438194151321} 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