./iterations/neb0_image08_iter1.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 {} {0.47143005481 0.218360886598 0.493871071135} O1 1 1
14 {} {0.335347795409 0.221079592374 0.585580729049} Si1 2 1
14 {} {0.604227420024 0.300458547086 0.443173171832} Si2 3 1
8 {} {0.565195027687 0.451880812288 0.394099416361} O2 4 1
8 {} {0.326574202822 0.359841199959 0.672644500318} O3 5 1
14 {} {0.288481583397 0.513834573049 0.679952738898} Si3 6 1
14 {} {0.514835836466 0.602240472695 0.431565017765} Si4 7 1
1 {} {0.340700133264 0.108456603973 0.681190704977} H1 8 1
1 {} {0.218179041648 0.211667832625 0.495190328675} H2 9 1
1 {} {0.659703191486 0.228168770424 0.326859782876} H3 10 1
1 {} {0.701669427533 0.309546318819 0.55482070258} H4 11 1
1 {} {0.143016149075 0.526364646483 0.670656184569} H5 12 1
1 {} {0.345534107194 0.567297711914 0.804632029753} H6 13 1
1 {} {0.329586796479 0.874119815035 0.396310514548} H7 14 1
1 {} {0.509622566094 0.678251177792 0.314670350983} H8 15 1
1 {} {0.601268106941 0.666355667021 0.526926820745} H10 16 1
8 {} {0.348940237264 0.593798906381 0.557741150064} O 17 1
1 {} {0.305774462407 0.840794425486 0.501172784875} 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