./iterations/neb0_image06_iter117.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 {} {0.470421363102 0.22856409423 0.490643174082} O1 1 1
14 {} {0.329834111539 0.223867144058 0.575140599286} Si1 2 1
14 {} {0.600073144485 0.319415085949 0.449590404147} Si2 3 1
8 {} {0.558493632295 0.472581434045 0.416677630118} O2 4 1
8 {} {0.322464554507 0.353424822705 0.675249999452} O3 5 1
14 {} {0.293337174943 0.515551860635 0.667718038673} Si3 6 1
14 {} {0.495472618459 0.619885399791 0.445064380382} Si4 7 1
1 {} {0.328523102018 0.0996561821668 0.656230915363} H1 8 1
1 {} {0.214156652197 0.226260389548 0.481378569642} H2 9 1
1 {} {0.653477736114 0.263048311307 0.324500324462} H3 10 1
1 {} {0.699025343102 0.320968125763 0.560895471996} H4 11 1
1 {} {0.146530056855 0.537127767336 0.672834799281} H5 12 1
1 {} {0.362248328645 0.578119989369 0.783864827244} H6 13 1
1 {} {0.378703233208 0.803399764537 0.466765326015} H7 14 1
1 {} {0.487501408082 0.680724129961 0.306799386981} H8 15 1
1 {} {0.589324575769 0.699541826714 0.530360279085} H10 16 1
8 {} {0.351427699004 0.576907604593 0.525450203326} O 17 1
1 {} {0.329071360549 0.753473997817 0.501893665156} 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