iterations/neb0_image07_iter174.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471381540912 0.24041018474 0.493739107471} O1 1 1
14 {} {0.332342391915 0.222282618279 0.57935889851} Si1 2 1
14 {} {0.616398992205 0.304131155406 0.451372265245} Si2 3 1
8 {} {0.599270431617 0.464133396905 0.418825515693} O2 4 1
8 {} {0.30422772985 0.347881203998 0.682577383617} O3 5 1
14 {} {0.290850777764 0.510331078317 0.655348086885} Si3 6 1
14 {} {0.495719662499 0.59112329538 0.437462631919} Si4 7 1
1 {} {0.344732735491 0.100120595291 0.6627077876} H1 8 1
1 {} {0.222038154754 0.213124612559 0.479229608561} H2 9 1
1 {} {0.66445566679 0.236845226236 0.327993614781} H3 10 1
1 {} {0.712636739185 0.282622903097 0.563598942652} H4 11 1
1 {} {0.14784468442 0.548860377149 0.656884815968} H5 12 1
1 {} {0.368699540368 0.584097932377 0.75755976975} H6 13 1
1 {} {0.347472915301 0.90126294414 0.496153283333} H7 14 1
1 {} {0.460338628971 0.648239948677 0.304821555777} H8 15 1
1 {} {0.561554547896 0.691450978433 0.526170396058} H10 16 1
8 {} {0.353354118634 0.54370665331 0.507037418178} O 17 1
1 {} {0.316766719273 0.841892709761 0.530216744493} 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