./iterations/neb0_image05_iter157.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474703394249 0.229984411074 0.484798559952} O1 1 1
14 {} {0.330174405682 0.227499385399 0.566226583638} Si1 2 1
14 {} {0.59525190026 0.341953990158 0.458947961185} Si2 3 1
8 {} {0.534820162015 0.494685386945 0.475551217533} O2 4 1
8 {} {0.302737537675 0.364327151142 0.653580715484} O3 5 1
14 {} {0.259634816113 0.521067147209 0.665862858537} Si3 6 1
14 {} {0.547383444298 0.654348518056 0.435903723574} Si4 7 1
1 {} {0.336280944027 0.114514409877 0.662522151885} H1 8 1
1 {} {0.22526989755 0.204218410287 0.463133471492} H2 9 1
1 {} {0.649828047592 0.316036308256 0.319866989419} H3 10 1
1 {} {0.701950456645 0.315297582353 0.563018766961} H4 11 1
1 {} {0.131441494089 0.529256313973 0.742102154123} H5 12 1
1 {} {0.368922475576 0.587956434873 0.742421238603} H6 13 1
1 {} {0.448170324155 0.742151666487 0.508965983016} H7 14 1
1 {} {0.516123663408 0.660932665092 0.290364629248} H8 15 1
1 {} {0.680734695041 0.705786707147 0.478363604236} H10 16 1
8 {} {0.238439952224 0.585097153808 0.513809186698} O 17 1
1 {} {0.268218408035 0.677404285351 0.505618320988} 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