iterations/neb0_image06_iter66.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.468893610427 0.220000803544 0.484333580254} O1 1 1
14 {} {0.330786113583 0.226951078995 0.575177407271} Si1 2 1
14 {} {0.593872975346 0.31928129262 0.443344233417} Si2 3 1
8 {} {0.539785162263 0.468056205006 0.406827024382} O2 4 1
8 {} {0.329451500219 0.357525485287 0.675404371978} O3 5 1
14 {} {0.295244915323 0.517850597654 0.682141086354} Si3 6 1
14 {} {0.498266121389 0.61984041751 0.451463508064} Si4 7 1
1 {} {0.328797084519 0.10779476347 0.663468201245} H1 8 1
1 {} {0.214559561504 0.232050542207 0.481085859961} H2 9 1
1 {} {0.657075067254 0.265779219287 0.319671333226} H3 10 1
1 {} {0.690398703391 0.335226925058 0.55676723981} H4 11 1
1 {} {0.148000349952 0.539179271858 0.676571787253} H5 12 1
1 {} {0.349140084592 0.570841375719 0.809950197333} H6 13 1
1 {} {0.369339176111 0.783843237098 0.425474077099} H7 14 1
1 {} {0.503596636059 0.682327507914 0.314667273989} H8 15 1
1 {} {0.599371810368 0.691364703975 0.534727590082} H10 16 1
8 {} {0.36537220406 0.590638657501 0.553221752798} O 17 1
1 {} {0.328135033693 0.74396586512 0.476761458871} 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