./iterations/neb0_image03_iter127.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.465515921845 0.242616610021 0.486987344121} O1 1 1
14 {} {0.328435158107 0.235286184313 0.576147733451} Si1 2 1
14 {} {0.586733044175 0.339536710258 0.433512123926} Si2 3 1
8 {} {0.526701157828 0.483746994067 0.383859420797} O2 4 1
8 {} {0.319966934522 0.359354961244 0.682954102183} O3 5 1
14 {} {0.269237322077 0.512003346659 0.716176674888} Si3 6 1
14 {} {0.540414796802 0.64779518076 0.378160531896} Si4 7 1
1 {} {0.33132065565 0.108889578567 0.654209655876} H1 8 1
1 {} {0.21009902383 0.239738034193 0.485860731124} H2 9 1
1 {} {0.649167163288 0.269885690685 0.318015013588} H3 10 1
1 {} {0.683006570468 0.363256566431 0.545002378884} H4 11 1
1 {} {0.12029764258 0.515548023275 0.723296944334} H5 12 1
1 {} {0.330647716972 0.552144212759 0.845809373593} H6 13 1
1 {} {0.408148812302 0.712082496082 0.349679591909} H7 14 1
1 {} {0.633882606866 0.681227845117 0.266299216087} H8 15 1
1 {} {0.596434635396 0.702445942183 0.506111255749} H10 16 1
8 {} {0.322488179612 0.608277850376 0.591867484639} O 17 1
1 {} {0.287588801383 0.698681777329 0.587108342425} 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