./iterations/neb0_image08_iter67.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 {} {0.471850147238 0.216904947386 0.488302735688} O1 1 1
14 {} {0.334249991413 0.221058892731 0.578021116001} Si1 2 1
14 {} {0.601831415958 0.306653483696 0.443875448329} Si2 3 1
8 {} {0.55639958841 0.458587571208 0.401870899594} O2 4 1
8 {} {0.331103272756 0.35455821572 0.674305429042} O3 5 1
14 {} {0.298043109357 0.515563292146 0.674911885072} Si3 6 1
14 {} {0.503320795151 0.604643314437 0.453935835958} Si4 7 1
1 {} {0.331263413667 0.101865706886 0.666097267564} H1 8 1
1 {} {0.21782102661 0.224873618731 0.485741435631} H2 9 1
1 {} {0.662790827058 0.243748390084 0.324301853921} H3 10 1
1 {} {0.696335178967 0.317342164139 0.558256859914} H4 11 1
1 {} {0.151598905672 0.537791221445 0.664904239261} H5 12 1
1 {} {0.355634731825 0.573612051156 0.799031468307} H6 13 1
1 {} {0.333229546358 0.837341996684 0.415280280782} H7 14 1
1 {} {0.473567542765 0.683728179302 0.332294002558} H8 15 1
1 {} {0.606180889716 0.670238501382 0.539501006724} H10 16 1
8 {} {0.366590811767 0.586610314795 0.543906129386} O 17 1
1 {} {0.318274928432 0.817396111096 0.486520097315} 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