./iterations/neb0_image08_iter292.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 {} {0.474185771661 0.212279550068 0.494037029854} O1 1 1
14 {} {0.334362234649 0.214058895945 0.579924913865} Si1 2 1
14 {} {0.610730470074 0.293236718623 0.453356440142} Si2 3 1
8 {} {0.580976996493 0.452769734648 0.430902889773} O2 4 1
8 {} {0.318600302071 0.354649063144 0.662881771741} O3 5 1
14 {} {0.296172562583 0.517105373893 0.657488530363} Si3 6 1
14 {} {0.50468287642 0.597024520509 0.442905649951} Si4 7 1
1 {} {0.336141521226 0.104682732611 0.679226945269} H1 8 1
1 {} {0.222920969636 0.200635892706 0.483412080391} H2 9 1
1 {} {0.66313010584 0.23837017373 0.325092918699} H3 10 1
1 {} {0.709582687502 0.279080088867 0.563998708935} H4 11 1
1 {} {0.150726487189 0.547590415053 0.659506764825} H5 12 1
1 {} {0.367305971171 0.57733172864 0.773611779102} H6 13 1
1 {} {0.318930366865 0.912771645078 0.469175688573} H7 14 1
1 {} {0.477985316288 0.649316540569 0.306191064674} H8 15 1
1 {} {0.591193852631 0.689129819579 0.5219771807} H10 16 1
8 {} {0.359243412652 0.579052957706 0.518502612497} O 17 1
1 {} {0.293214240142 0.853431953779 0.508864817912} 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