./iterations/neb0_image02_iter71.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.46832185994 0.236594182268 0.476240229778} O1 1 1
14 {} {0.329684636523 0.243876262819 0.564156446936} Si1 2 1
14 {} {0.59555244368 0.330745141717 0.43160442511} Si2 3 1
8 {} {0.54275476757 0.474771488697 0.374517222005} O2 4 1
8 {} {0.330825575264 0.375445675161 0.662036182235} O3 5 1
14 {} {0.266615149676 0.517014813508 0.714860632898} Si3 6 1
14 {} {0.529591407582 0.638866881656 0.380086459249} Si4 7 1
1 {} {0.323266296992 0.122555466663 0.649690056609} H1 8 1
1 {} {0.213432119268 0.251519172316 0.4717110915} H2 9 1
1 {} {0.666299970378 0.260206650723 0.321694090225} H3 10 1
1 {} {0.682657485959 0.354408951407 0.550240979104} H4 11 1
1 {} {0.121364507246 0.496417304125 0.737007775725} H5 12 1
1 {} {0.339934116627 0.556964460852 0.83839556196} H6 13 1
1 {} {0.387409000553 0.678335928137 0.357019612438} H7 14 1
1 {} {0.615573179346 0.697832554796 0.273904495211} H8 15 1
1 {} {0.576984988819 0.691083666273 0.512420424208} H10 16 1
8 {} {0.280859734471 0.635754338347 0.599482949865} O 17 1
1 {} {0.338958881324 0.71012503532 0.615989346119} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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