./iterations/neb0_image04_iter225.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465242091678 0.258048126531 0.488789793492} O1 1 1
14 {} {0.325769288907 0.229452520923 0.569525762801} Si1 2 1
14 {} {0.594443997149 0.348138638193 0.445669727784} Si2 3 1
8 {} {0.550446608449 0.503125587434 0.421927210293} O2 4 1
8 {} {0.289982320364 0.34860539395 0.676607230499} O3 5 1
14 {} {0.247763004357 0.504782583632 0.703581066633} Si3 6 1
14 {} {0.571731816155 0.664322247223 0.400197274767} Si4 7 1
1 {} {0.342215194501 0.103810863567 0.647728724954} H1 8 1
1 {} {0.216676419315 0.216057900845 0.468393957341} H2 9 1
1 {} {0.64725046345 0.290548049995 0.32044503656} H3 10 1
1 {} {0.697058645204 0.34419690047 0.552305726679} H4 11 1
1 {} {0.106019041396 0.51494907733 0.750739953659} H5 12 1
1 {} {0.344097215629 0.557966675965 0.804195219268} H6 13 1
1 {} {0.44350591783 0.734121156595 0.427352775147} H7 14 1
1 {} {0.613047439473 0.69137429462 0.259155193524} H8 15 1
1 {} {0.67994904757 0.714342142114 0.49043957151} H10 16 1
8 {} {0.26267023326 0.58355374014 0.559066118305} O 17 1
1 {} {0.212217251211 0.665121950653 0.544937827503} 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