./iterations/neb0_image04_iter110.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 {} {0.467336746018 0.235058004379 0.490079721731} O1 1 1
14 {} {0.328496296518 0.228270358221 0.577069818958} Si1 2 1
14 {} {0.583368503139 0.340913953937 0.441291889696} Si2 3 1
8 {} {0.519287248416 0.486302150225 0.403645615003} O2 4 1
8 {} {0.320902368846 0.355898153496 0.681323469518} O3 5 1
14 {} {0.278474498543 0.513235409564 0.700959786953} Si3 6 1
14 {} {0.531136909581 0.652073405667 0.400564305469} Si4 7 1
1 {} {0.330176212602 0.102362590008 0.656155326592} H1 8 1
1 {} {0.21079063017 0.232277900555 0.485488769663} H2 9 1
1 {} {0.644220219203 0.283370184767 0.319159040646} H3 10 1
1 {} {0.683925628767 0.352224930776 0.551127304456} H4 11 1
1 {} {0.130753338472 0.531553647993 0.693459754855} H5 12 1
1 {} {0.341832658694 0.559815747478 0.82682265395} H6 13 1
1 {} {0.405727570466 0.734846306729 0.3949354448} H7 14 1
1 {} {0.593652912752 0.682543002508 0.270547740096} H8 15 1
1 {} {0.606592754288 0.701574237545 0.517596932224} H10 16 1
8 {} {0.341885659382 0.602751000254 0.578026524101} O 17 1
1 {} {0.291525936978 0.677446955466 0.542803891684} 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