iterations/neb0_image03_iter250.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 {} {0.456348916813 0.267571601836 0.488481785752} O1 1 1
14 {} {0.32375890882 0.239824579752 0.580177717127} Si1 2 1
14 {} {0.584832215753 0.349830373542 0.429615032707} Si2 3 1
8 {} {0.536161293675 0.493852007628 0.368560715745} O2 4 1
8 {} {0.303473374808 0.353940302084 0.696066290563} O3 5 1
14 {} {0.253997501205 0.505048376892 0.73789466398} Si3 6 1
14 {} {0.565060999917 0.656636648879 0.362714191056} Si4 7 1
1 {} {0.341355190409 0.110072309091 0.649111267286} H1 8 1
1 {} {0.205913632225 0.239079470367 0.489029419163} H2 9 1
1 {} {0.644030506717 0.269327175472 0.318927700618} H3 10 1
1 {} {0.682885047816 0.375070634195 0.540119806193} H4 11 1
1 {} {0.105079988198 0.50523969468 0.743366265185} H5 12 1
1 {} {0.316985769727 0.538969247388 0.867724411371} H6 13 1
1 {} {0.433530291476 0.722608388389 0.332655062556} H7 14 1
1 {} {0.663596797649 0.686865337737 0.254404957583} H8 15 1
1 {} {0.621903879836 0.707006458177 0.491890401421} H10 16 1
8 {} {0.308261271523 0.620312787712 0.632796360517} O 17 1
1 {} {0.262910571984 0.631262671034 0.547521563591} 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