./iterations/neb0_image07_iter149.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 {} {0.471069634535 0.239862248638 0.492916600037} O1 1 1
14 {} {0.332843180351 0.222304975246 0.576612941084} Si1 2 1
14 {} {0.614913515519 0.306975718405 0.450823479116} Si2 3 1
8 {} {0.598176271215 0.469718557649 0.419501529091} O2 4 1
8 {} {0.31036485794 0.350039082576 0.679994239376} O3 5 1
14 {} {0.291991629467 0.512530640704 0.65892437728} Si3 6 1
14 {} {0.496895549934 0.596473751519 0.441112432605} Si4 7 1
1 {} {0.338365947138 0.0990966635488 0.661194327652} H1 8 1
1 {} {0.219219212051 0.21538267597 0.479792940548} H2 9 1
1 {} {0.662814858436 0.23457636957 0.331492979366} H3 10 1
1 {} {0.710223183158 0.285673186656 0.561639216835} H4 11 1
1 {} {0.147410354972 0.547316264143 0.658435283375} H5 12 1
1 {} {0.36959401107 0.585989356872 0.761387044766} H6 13 1
1 {} {0.349533472036 0.879953250338 0.481921735297} H7 14 1
1 {} {0.449563887351 0.662225643712 0.31652747023} H8 15 1
1 {} {0.573515711334 0.691504219409 0.527890926043} H10 16 1
8 {} {0.355415801535 0.550453936086 0.511819833204} O 17 1
1 {} {0.318174932467 0.822441288601 0.519070505267} 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