./iterations/neb0_image03_iter2.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468429532563 0.237816482143 0.477659378645} O1 1 1
14 {} {0.329262620156 0.243534395317 0.564423406004} Si1 2 1
14 {} {0.603361430178 0.32085419068 0.435072669471} Si2 3 1
8 {} {0.565560442922 0.467557586972 0.373225407464} O2 4 1
8 {} {0.329297466849 0.37455250836 0.661908596488} O3 5 1
14 {} {0.271864856382 0.510903425067 0.715942402509} Si3 6 1
14 {} {0.52592445996 0.624639848739 0.388226603167} Si4 7 1
1 {} {0.322940909812 0.122655347326 0.649238353298} H1 8 1
1 {} {0.215147712366 0.250972171766 0.470243430731} H2 9 1
1 {} {0.671276618554 0.243376907409 0.329333657679} H3 10 1
1 {} {0.689219709952 0.339535900625 0.55448464268} H4 11 1
1 {} {0.127400620309 0.497624902786 0.727494021928} H5 12 1
1 {} {0.342353473815 0.540368778709 0.841108370948} H6 13 1
1 {} {0.368595794319 0.740556540322 0.348778515038} H7 14 1
1 {} {0.582475801177 0.696395446853 0.285735281373} H8 15 1
1 {} {0.570459137832 0.683721027279 0.510191685717} H10 16 1
8 {} {0.295197417429 0.628845199362 0.614577878843} O 17 1
1 {} {0.331318135325 0.748607300386 0.583413698015} 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