./iterations/neb0_image03_iter111.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.466528466013 0.237931763588 0.485474594821} O1 1 1
14 {} {0.328854613923 0.235774932525 0.5748047265} Si1 2 1
14 {} {0.586814490435 0.337981082716 0.434377165377} Si2 3 1
8 {} {0.526224652231 0.481775866478 0.385199659161} O2 4 1
8 {} {0.323976005631 0.363685847747 0.677513701311} O3 5 1
14 {} {0.26997531097 0.514245576727 0.713449652767} Si3 6 1
14 {} {0.536807598317 0.646123642956 0.380694784805} Si4 7 1
1 {} {0.330114510927 0.111263795834 0.656260899144} H1 8 1
1 {} {0.21161652669 0.239158604696 0.482776479405} H2 9 1
1 {} {0.651600769649 0.271099688978 0.318519087405} H3 10 1
1 {} {0.68349001936 0.358029017491 0.546838127739} H4 11 1
1 {} {0.121343173985 0.515091961644 0.722983714887} H5 12 1
1 {} {0.333300442688 0.555801895346 0.841372891263} H6 13 1
1 {} {0.404246735725 0.707067346899 0.356306600667} H7 14 1
1 {} {0.626427289997 0.683343745915 0.267725946401} H8 15 1
1 {} {0.593417345837 0.698594464477 0.508201671104} H10 16 1
8 {} {0.319594931 0.610556018303 0.589178630503} O 17 1
1 {} {0.295753244334 0.704992721997 0.589379634219} 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