iterations/neb0_image08_iter235.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472373400084 0.224732702758 0.493268610278} O1 1 1
14 {} {0.331206583849 0.218965309135 0.576938266691} Si1 2 1
14 {} {0.613649304793 0.297168282137 0.451649681534} Si2 3 1
8 {} {0.591582938018 0.456437486363 0.419346295239} O2 4 1
8 {} {0.313673593245 0.349534449977 0.675412158566} O3 5 1
14 {} {0.300619410656 0.513456326695 0.667876755544} Si3 6 1
14 {} {0.511569456334 0.596467585807 0.447294347882} Si4 7 1
1 {} {0.331949676241 0.0976635214763 0.662171307169} H1 8 1
1 {} {0.219783146892 0.214589295507 0.478331984516} H2 9 1
1 {} {0.66297678568 0.230291276772 0.328819509663} H3 10 1
1 {} {0.710228517195 0.28349801962 0.564212231188} H4 11 1
1 {} {0.157508881822 0.552552437498 0.659250637335} H5 12 1
1 {} {0.365639614536 0.568235472518 0.78999952071} H6 13 1
1 {} {0.311556194445 0.910483561761 0.47333008471} H7 14 1
1 {} {0.472628270267 0.65342507701 0.31719419739} H8 15 1
1 {} {0.598643332359 0.686306179212 0.526517343861} H10 16 1
8 {} {0.373443998943 0.571145084522 0.5326148391} O 17 1
1 {} {0.271053150922 0.847565809039 0.466829948079} 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