iterations/neb0_image09_iter287.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472880811996 0.210470026841 0.495224311181} O1 1 1
14 {} {0.333505309813 0.214308899079 0.582540003803} Si1 2 1
14 {} {0.606729662241 0.292583606835 0.447880959752} Si2 3 1
8 {} {0.571088697658 0.4489731638 0.413131121464} O2 4 1
8 {} {0.322862140841 0.352674392131 0.67054304016} O3 5 1
14 {} {0.300451443405 0.515497259077 0.669292381728} Si3 6 1
14 {} {0.512333162956 0.596947406955 0.452268971125} Si4 7 1
1 {} {0.334101476622 0.100650825294 0.677954372839} H1 8 1
1 {} {0.219283878265 0.207481036402 0.487438623174} H2 9 1
1 {} {0.657935108911 0.229382517281 0.323837346389} H3 10 1
1 {} {0.707352700716 0.288421528308 0.557645285575} H4 11 1
1 {} {0.15517999014 0.546173289139 0.660359331431} H5 12 1
1 {} {0.361235363343 0.568960725257 0.794108878607} H6 13 1
1 {} {0.312855634319 0.919198906823 0.438425222458} H7 14 1
1 {} {0.479850145232 0.669001311745 0.326675676025} H8 15 1
1 {} {0.614263390915 0.669341209592 0.53304707135} H10 16 1
8 {} {0.373028673013 0.58374738116 0.538630960968} O 17 1
1 {} {0.275148642931 0.858704384719 0.462054095285} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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