./iterations/neb0_image02_iter179.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.463926447128 0.25399748042 0.490718141179} O1 1 1
14 {} {0.3283158172 0.239459104589 0.582031556901} Si1 2 1
14 {} {0.5860071448 0.344467206164 0.429781359475} Si2 3 1
8 {} {0.528800773178 0.486194707373 0.369811777171} O2 4 1
8 {} {0.319024343825 0.361242500551 0.692303111352} O3 5 1
14 {} {0.250736741015 0.507410612232 0.726277650889} Si3 6 1
14 {} {0.551516913719 0.64922556829 0.361773441285} Si4 7 1
1 {} {0.337987048762 0.110816088832 0.656334767848} H1 8 1
1 {} {0.209255715251 0.241658173055 0.491892169834} H2 9 1
1 {} {0.646656548544 0.266498036803 0.31864588659} H3 10 1
1 {} {0.684279026019 0.373412637516 0.538436860447} H4 11 1
1 {} {0.1036603398 0.491234739801 0.742028623715} H5 12 1
1 {} {0.317822841754 0.556796005344 0.850012030238} H6 13 1
1 {} {0.42424397821 0.714236882582 0.318668345301} H7 14 1
1 {} {0.659927887896 0.681058561148 0.264603935445} H8 15 1
1 {} {0.590154989954 0.70201209706 0.496589524011} H10 16 1
8 {} {0.267269305789 0.614694484091 0.602079690694} O 17 1
1 {} {0.340500239458 0.678103036166 0.599069282013} 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