./iterations/neb0_image05_iter33.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46965594279 0.226328946172 0.483545707397} O1 1 1
14 {} {0.332617945646 0.235575279977 0.573973012109} Si1 2 1
14 {} {0.593555253379 0.324902179061 0.439014415276} Si2 3 1
8 {} {0.534462659887 0.476235005558 0.40231011008} O2 4 1
8 {} {0.333185114889 0.374187749887 0.658124177405} O3 5 1
14 {} {0.28284378394 0.524654030543 0.691095898414} Si3 6 1
14 {} {0.503942515549 0.64093921484 0.42289018819} Si4 7 1
1 {} {0.330814927035 0.115439126488 0.662648792565} H1 8 1
1 {} {0.216168088678 0.232409394407 0.481946859029} H2 9 1
1 {} {0.662036553329 0.248434305315 0.328432538311} H3 10 1
1 {} {0.692005176353 0.330692698559 0.551357953702} H4 11 1
1 {} {0.137138663784 0.524149395491 0.699661720214} H5 12 1
1 {} {0.339743791714 0.561804473881 0.82001551033} H6 13 1
1 {} {0.374010900038 0.768756044438 0.425822995221} H7 14 1
1 {} {0.540542492271 0.684387398224 0.284301740904} H8 15 1
1 {} {0.592493631911 0.68176669258 0.53404259251} H10 16 1
8 {} {0.344445511966 0.617860047212 0.570409496326} O 17 1
1 {} {0.330423176445 0.703995975586 0.501464272352} 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