iterations/neb0_image06_iter169.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 {} {0.474422655935 0.227197463413 0.486123251931} O1 1 1
14 {} {0.331568544518 0.221496477246 0.567302693471} Si1 2 1
14 {} {0.608255011523 0.315417650781 0.452944135868} Si2 3 1
8 {} {0.56782962436 0.472088122349 0.446474374272} O2 4 1
8 {} {0.3046971026 0.354927717324 0.660660111694} O3 5 1
14 {} {0.285433621276 0.517987610367 0.656902731648} Si3 6 1
14 {} {0.485393806216 0.612011685435 0.444800750226} Si4 7 1
1 {} {0.338046260461 0.106467359664 0.659634738808} H1 8 1
1 {} {0.224970398461 0.206393300069 0.465041617333} H2 9 1
1 {} {0.66267463088 0.282240559218 0.317540304808} H3 10 1
1 {} {0.708069762526 0.295516976814 0.562764750631} H4 11 1
1 {} {0.14268265549 0.5421280451 0.69731847917} H5 12 1
1 {} {0.374569305829 0.583319006132 0.757179112827} H6 13 1
1 {} {0.392824588238 0.818453969003 0.515572320322} H7 14 1
1 {} {0.470704317539 0.657113496914 0.303996675874} H8 15 1
1 {} {0.579341309167 0.703628480714 0.519437023798} H10 16 1
8 {} {0.331310334345 0.575804932674 0.508039505434} O 17 1
1 {} {0.327292007979 0.78032497903 0.509325469274} 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