./iterations/neb0_image05_iter173.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474694502779 0.237301374232 0.488005757821} O1 1 1
14 {} {0.329583278626 0.225513221037 0.564515451376} Si1 2 1
14 {} {0.59717020531 0.342925651482 0.462988490576} Si2 3 1
8 {} {0.541936460936 0.495344865363 0.486184057662} O2 4 1
8 {} {0.294838234727 0.361335194124 0.648450082072} O3 5 1
14 {} {0.254776261414 0.519084271069 0.663284814469} Si3 6 1
14 {} {0.555133955165 0.65157634769 0.437870225937} Si4 7 1
1 {} {0.338271980916 0.114965864743 0.662992374439} H1 8 1
1 {} {0.225435051001 0.202533519731 0.46178934828} H2 9 1
1 {} {0.645757353795 0.328285778052 0.324644565071} H3 10 1
1 {} {0.701856502168 0.313790823287 0.562474671021} H4 11 1
1 {} {0.134702570341 0.526552184845 0.749603861208} H5 12 1
1 {} {0.368583212341 0.592603823245 0.72732819758} H6 13 1
1 {} {0.456749382195 0.727594567977 0.520842038834} H7 14 1
1 {} {0.517218343328 0.666296310999 0.292688447476} H8 15 1
1 {} {0.691590110694 0.705774624159 0.460603671755} H10 16 1
8 {} {0.217860752026 0.588248442016 0.516898731214} O 17 1
1 {} {0.263927856716 0.672791068268 0.499893339763} 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