./iterations/neb0_image08_iter27.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 {} {0.470770890522 0.219582277842 0.488901843754} O1 1 1
14 {} {0.33450521561 0.223535820813 0.580563417654} Si1 2 1
14 {} {0.601169780517 0.307034830964 0.442253871565} Si2 3 1
8 {} {0.552493468161 0.457502631302 0.399621521001} O2 4 1
8 {} {0.330670898233 0.358534703493 0.671688061063} O3 5 1
14 {} {0.294702600035 0.51882162552 0.674556769697} Si3 6 1
14 {} {0.504153629471 0.605188301209 0.45060538112} Si4 7 1
1 {} {0.336434545535 0.10687973112 0.673329027684} H1 8 1
1 {} {0.216761663542 0.220096433689 0.488469689263} H2 9 1
1 {} {0.662150839138 0.234839436404 0.326772524293} H3 10 1
1 {} {0.698885402575 0.317327063385 0.554590355406} H4 11 1
1 {} {0.1478508081 0.529643378897 0.676755984701} H5 12 1
1 {} {0.344640873695 0.567125729561 0.803923084615} H6 13 1
1 {} {0.331021265461 0.839408474845 0.416409388711} H7 14 1
1 {} {0.494977636572 0.677797549774 0.320362103828} H8 15 1
1 {} {0.603289029833 0.671993703925 0.535605712275} H10 16 1
8 {} {0.36688872303 0.58931891711 0.540020762737} O 17 1
1 {} {0.318718867003 0.827887357776 0.486628509885} 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