./iterations/neb0_image04_iter109.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 {} {0.467394476218 0.235114864989 0.490139519916} O1 1 1
14 {} {0.328476450761 0.228227308031 0.577070672964} Si1 2 1
14 {} {0.583322618424 0.340960576633 0.441358025791} Si2 3 1
8 {} {0.519331397997 0.486276554943 0.4035768213} O2 4 1
8 {} {0.320928137688 0.355833677163 0.681351283146} O3 5 1
14 {} {0.278453881076 0.513253485747 0.700979564293} Si3 6 1
14 {} {0.531256917925 0.652146384812 0.40051330781} Si4 7 1
1 {} {0.330188694898 0.102239944241 0.656036614719} H1 8 1
1 {} {0.210734375914 0.232260045963 0.48550895138} H2 9 1
1 {} {0.644128923152 0.28337684163 0.319265606019} H3 10 1
1 {} {0.683970936732 0.352183124484 0.551121064505} H4 11 1
1 {} {0.130741005219 0.531580648542 0.693335539934} H5 12 1
1 {} {0.341924837453 0.559791630759 0.826795183123} H6 13 1
1 {} {0.405830874848 0.73495829404 0.394978236642} H7 14 1
1 {} {0.593659937615 0.682557685064 0.270479486853} H8 15 1
1 {} {0.606457770688 0.701625313238 0.517587850686} H10 16 1
8 {} {0.341882890681 0.6026791401 0.578114731953} O 17 1
1 {} {0.291401965243 0.677452419323 0.542845529161} 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