./iterations/neb0_image04_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_image04

@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 {} {0.469038555301 0.233934266375 0.48089225398} O1 1 1
14 {} {0.330474549973 0.23904662199 0.568653916568} Si1 2 1
14 {} {0.603531163496 0.316741404033 0.436708904511} Si2 3 1
8 {} {0.565460183673 0.464453726201 0.377391340827} O2 4 1
8 {} {0.328792653463 0.371506769165 0.6640307261} O3 5 1
14 {} {0.275117249209 0.511533114413 0.708850984311} Si3 6 1
14 {} {0.523711528554 0.620127992294 0.396973429801} Si4 7 1
1 {} {0.326491269583 0.119813227037 0.655627078594} H1 8 1
1 {} {0.21575037503 0.243117151871 0.475225498848} H2 9 1
1 {} {0.668965627014 0.240338668659 0.328834227843} H3 10 1
1 {} {0.691710279173 0.333545982823 0.554553845052} H4 11 1
1 {} {0.130486855212 0.503361578184 0.716151763948} H5 12 1
1 {} {0.342990585406 0.545748564647 0.833844759767} H6 13 1
1 {} {0.360773207794 0.767260935775 0.358320513096} H7 14 1
1 {} {0.567920671122 0.692810260411 0.29141229303} H8 15 1
1 {} {0.576632018541 0.680261671239 0.513577910506} H10 16 1
8 {} {0.305951041984 0.621879459725 0.603107971486} O 17 1
1 {} {0.326288325369 0.767036565262 0.566900581734} 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