./iterations/neb0_image06_iter76.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 {} {0.468457413316 0.222187929809 0.487053147872} O1 1 1
14 {} {0.330981122188 0.225786763701 0.57688109507} Si1 2 1
14 {} {0.594102032463 0.319399850124 0.443399513343} Si2 3 1
8 {} {0.541508339149 0.468364079154 0.408114802061} O2 4 1
8 {} {0.327076477763 0.355503205935 0.677607505779} O3 5 1
14 {} {0.295572778007 0.516945940823 0.680257401651} Si3 6 1
14 {} {0.498937175738 0.62001012728 0.449947218175} Si4 7 1
1 {} {0.327835863923 0.1057228983 0.663079996665} H1 8 1
1 {} {0.216088669445 0.231602464902 0.483158636156} H2 9 1
1 {} {0.656111966574 0.268303618182 0.318889460201} H3 10 1
1 {} {0.688967392173 0.33395898968 0.55713262765} H4 11 1
1 {} {0.148331774412 0.539352986062 0.67491218579} H5 12 1
1 {} {0.349867540797 0.569906428705 0.808534172268} H6 13 1
1 {} {0.368916300297 0.78661198264 0.426405705457} H7 14 1
1 {} {0.504739245487 0.681120513751 0.312114026159} H8 15 1
1 {} {0.598462230469 0.692783150687 0.533564239392} H10 16 1
8 {} {0.365529469448 0.588586632757 0.549859884981} O 17 1
1 {} {0.32860031565 0.74637039621 0.480146368822} 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