./iterations/neb0_image09_iter201.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 {} {0.471864611834 0.215830887436 0.493981604561} O1 1 1
14 {} {0.333395167458 0.215038162411 0.581727152804} Si1 2 1
14 {} {0.605898051198 0.297565030966 0.444651449281} Si2 3 1
8 {} {0.569212365763 0.451809931968 0.402223056958} O2 4 1
8 {} {0.322929037853 0.349375638047 0.676987321679} O3 5 1
14 {} {0.299611245876 0.512060857547 0.673135783718} Si3 6 1
14 {} {0.511318758592 0.597349642381 0.452474845829} Si4 7 1
1 {} {0.335014729467 0.0967562444724 0.67147026595} H1 8 1
1 {} {0.218328174087 0.212344234738 0.48693358043} H2 9 1
1 {} {0.659411058285 0.229196506997 0.324314373957} H3 10 1
1 {} {0.704917155155 0.300824723974 0.556053693657} H4 11 1
1 {} {0.15443397218 0.541784240314 0.659443199846} H5 12 1
1 {} {0.35670706572 0.568286426666 0.798481264507} H6 13 1
1 {} {0.31788517597 0.908633570232 0.428497000819} H7 14 1
1 {} {0.474115623024 0.674601870929 0.331532927486} H8 15 1
1 {} {0.615087233613 0.666346906451 0.534371366705} H10 16 1
8 {} {0.375072009638 0.578079321554 0.543407866601} O 17 1
1 {} {0.284884669582 0.856633755631 0.471370910043} 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