iterations/neb0_image06_iter281.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469346182248 0.253596867185 0.487603149929} O1 1 1
14 {} {0.323353021437 0.225191004971 0.558261022431} Si1 2 1
14 {} {0.608627474254 0.340060143335 0.473460687456} Si2 3 1
8 {} {0.586789750369 0.492084990279 0.535734020105} O2 4 1
8 {} {0.250293261246 0.353801042361 0.631086196725} O3 5 1
14 {} {0.272959727439 0.514137136941 0.658089375762} Si3 6 1
14 {} {0.494014842089 0.610928237154 0.464782915807} Si4 7 1
1 {} {0.342199579662 0.125142588356 0.666068069908} H1 8 1
1 {} {0.238383869908 0.173952780307 0.44749901884} H2 9 1
1 {} {0.637809043868 0.354946490908 0.328110166707} H3 10 1
1 {} {0.71826473585 0.274839020208 0.549117761583} H4 11 1
1 {} {0.145839038175 0.569145491299 0.71397301252} H5 12 1
1 {} {0.380144720625 0.551921986702 0.753723308687} H6 13 1
1 {} {0.405408331573 0.78406557156 0.491704014496} H7 14 1
1 {} {0.471855072809 0.607753600935 0.32024342603} H8 15 1
1 {} {0.595955410681 0.724041719626 0.472527400253} H10 16 1
8 {} {0.329296194501 0.572597150559 0.514500998558} O 17 1
1 {} {0.339545831547 0.744312365581 0.464573819399} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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