./iterations/neb0_image02_iter271.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.45626789773 0.267812662363 0.487833917109} O1 1 1
14 {} {0.325821644521 0.240310574631 0.583767771129} Si1 2 1
14 {} {0.583503512658 0.350085165856 0.427712016026} Si2 3 1
8 {} {0.534301025313 0.494121900937 0.365487370111} O2 4 1
8 {} {0.311046321965 0.357250327238 0.69927217136} O3 5 1
14 {} {0.241434315575 0.502518573663 0.733177378735} Si3 6 1
14 {} {0.564661262785 0.655671388775 0.355977688548} Si4 7 1
1 {} {0.346836522008 0.110248474765 0.652347702681} H1 8 1
1 {} {0.204156807082 0.23804703672 0.49702640684} H2 9 1
1 {} {0.642089582542 0.268069156086 0.31819226704} H3 10 1
1 {} {0.682136289078 0.375162414076 0.537341235964} H4 11 1
1 {} {0.094696877728 0.484287394534 0.752363355868} H5 12 1
1 {} {0.310828320272 0.553620280826 0.855439573751} H6 13 1
1 {} {0.438935213254 0.721375951769 0.312737962492} H7 14 1
1 {} {0.674417728648 0.683508871124 0.259121291339} H8 15 1
1 {} {0.60345312775 0.708242663231 0.491139989699} H10 16 1
8 {} {0.254311833841 0.61047764994 0.608509609438} O 17 1
1 {} {0.341188114572 0.651707711474 0.593610064995} 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