iterations/neb0_image07_iter71.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 {} {0.47044861787 0.220347373176 0.485929867124} O1 1 1
14 {} {0.332183884039 0.224612146359 0.574819616943} Si1 2 1
14 {} {0.599127947916 0.312565633177 0.443703653519} Si2 3 1
8 {} {0.551026176149 0.463360388817 0.403478206188} O2 4 1
8 {} {0.330210487074 0.354689168096 0.675412960367} O3 5 1
14 {} {0.29856989818 0.515747934224 0.679713016165} Si3 6 1
14 {} {0.502055823878 0.610120236212 0.455203159985} Si4 7 1
1 {} {0.326806885109 0.103130346331 0.659193575497} H1 8 1
1 {} {0.217242609455 0.23304698088 0.481461909531} H2 9 1
1 {} {0.662038375603 0.255420426424 0.322562795564} H3 10 1
1 {} {0.692020972982 0.325528023759 0.558754979105} H4 11 1
1 {} {0.152244478954 0.538778735023 0.671068648609} H5 12 1
1 {} {0.354859355173 0.570709940015 0.805620155532} H6 13 1
1 {} {0.349926010592 0.816197498103 0.421224500412} H7 14 1
1 {} {0.481848441344 0.684315220817 0.32829955891} H8 15 1
1 {} {0.603479666031 0.679960970617 0.539263077165} H10 16 1
8 {} {0.368480278877 0.588025188645 0.54955404886} O 17 1
1 {} {0.317516228066 0.775961755079 0.475794228987} 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