iterations/neb0_image09_iter205.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472059564789 0.215694591625 0.493880489891} O1 1 1
14 {} {0.33327916409 0.215023507835 0.581700535613} Si1 2 1
14 {} {0.605956918554 0.297264225919 0.444742899377} Si2 3 1
8 {} {0.56952677717 0.451836495887 0.402335539985} O2 4 1
8 {} {0.322872457048 0.349187765985 0.676877210229} O3 5 1
14 {} {0.299700900146 0.512020297648 0.673237198348} Si3 6 1
14 {} {0.511265822181 0.597201055048 0.452635647801} Si4 7 1
1 {} {0.334913050507 0.0966776522533 0.671249585084} H1 8 1
1 {} {0.218368705257 0.212239455826 0.486798611884} H2 9 1
1 {} {0.659359304897 0.228946392911 0.324303795645} H3 10 1
1 {} {0.705110901333 0.300472083771 0.556057981371} H4 11 1
1 {} {0.154578526647 0.542030655312 0.659395579987} H5 12 1
1 {} {0.356975278546 0.568098102678 0.798619522086} H6 13 1
1 {} {0.317588356286 0.909765613798 0.429000463017} H7 14 1
1 {} {0.474087739002 0.674339511862 0.331501829674} H8 15 1
1 {} {0.615044403613 0.666413681417 0.534444898264} H10 16 1
8 {} {0.375343636185 0.578312620352 0.543371981655} O 17 1
1 {} {0.28405459839 0.85699423852 0.470903883494} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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