./iterations/neb0_image09_iter106.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 {} {0.471899360545 0.214333734439 0.494440597018} O1 1 1
14 {} {0.335381750291 0.216127075917 0.585712302282} Si1 2 1
14 {} {0.603272528272 0.299441718664 0.444783852691} Si2 3 1
8 {} {0.561611316436 0.45221676675 0.401014046865} O2 4 1
8 {} {0.327454331209 0.353486131821 0.67617019493} O3 5 1
14 {} {0.296789385743 0.514995894748 0.670416903474} Si3 6 1
14 {} {0.507175734293 0.598874461589 0.451167197647} Si4 7 1
1 {} {0.339165661617 0.10133358853 0.679716865282} H1 8 1
1 {} {0.218135078874 0.210310911217 0.494141629301} H2 9 1
1 {} {0.658996699387 0.232032337947 0.325025699946} H3 10 1
1 {} {0.702042166309 0.306668101629 0.556160339038} H4 11 1
1 {} {0.150462316861 0.538166693293 0.656959798518} H5 12 1
1 {} {0.351401076008 0.575026508927 0.795045323796} H6 13 1
1 {} {0.322900437562 0.881481763131 0.415090918397} H7 14 1
1 {} {0.476685038606 0.678532157189 0.329689354734} H8 15 1
1 {} {0.611807352292 0.663914791956 0.534818559816} H10 16 1
8 {} {0.369850424078 0.583149496963 0.539437535196} O 17 1
1 {} {0.305055508279 0.852425840537 0.481266844102} 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