./iterations/neb0_image08_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471338851197 0.226955892859 0.493221819918} O1 1 1
14 {} {0.330026508616 0.219628533061 0.576610166725} Si1 2 1
14 {} {0.613012229333 0.29832879553 0.450386597244} Si2 3 1
8 {} {0.591396770726 0.45724411583 0.414627951276} O2 4 1
8 {} {0.313300037278 0.348317659404 0.677927748008} O3 5 1
14 {} {0.300179438728 0.512558436626 0.671406998098} Si3 6 1
14 {} {0.512767620089 0.597099843351 0.449173058221} Si4 7 1
1 {} {0.331337264333 0.0965101462469 0.660337731243} H1 8 1
1 {} {0.218416381069 0.219686366601 0.477474701749} H2 9 1
1 {} {0.663724161558 0.231083642282 0.327956580091} H3 10 1
1 {} {0.708835177243 0.288553431813 0.564015405673} H4 11 1
1 {} {0.156858467568 0.55147815532 0.661047464242} H5 12 1
1 {} {0.364621584848 0.568205198959 0.793498568012} H6 13 1
1 {} {0.312590354175 0.902568317495 0.472124654976} H7 14 1
1 {} {0.471332567259 0.657987344726 0.319729079252} H8 15 1
1 {} {0.603308027268 0.686028905383 0.528196184957} H10 16 1
8 {} {0.376087803604 0.568318646105 0.536969163407} O 17 1
1 {} {0.27095301536 0.841964431341 0.456353878595} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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