iterations/neb0_image07_iter108.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469749215822 0.223970861816 0.491758142442} O1 1 1
14 {} {0.330887628007 0.222045036679 0.578324658867} Si1 2 1
14 {} {0.601080063651 0.311856258479 0.446514289842} Si2 3 1
8 {} {0.562906895964 0.465648864488 0.40591670367} O2 4 1
8 {} {0.324294135611 0.352367247338 0.678016636261} O3 5 1
14 {} {0.29799543656 0.514637238117 0.675087810991} Si3 6 1
14 {} {0.503763101206 0.610300188719 0.451089143287} Si4 7 1
1 {} {0.327614177309 0.100065196712 0.662398803942} H1 8 1
1 {} {0.215735817271 0.228321653818 0.485234226611} H2 9 1
1 {} {0.657764945594 0.250736739841 0.324248266586} H3 10 1
1 {} {0.697315329968 0.318114382909 0.559637488381} H4 11 1
1 {} {0.152088475505 0.54193819569 0.665555107467} H5 12 1
1 {} {0.356096603552 0.571585630979 0.799409515178} H6 13 1
1 {} {0.349714074946 0.828073044586 0.431388936714} H7 14 1
1 {} {0.482235679363 0.680121429446 0.322519108994} H8 15 1
1 {} {0.600945863695 0.687005303281 0.532946040224} H10 16 1
8 {} {0.370356997467 0.580986445846 0.542683022621} O 17 1
1 {} {0.309541687936 0.784744216129 0.478330040374} 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