iterations/neb0_image09_iter177.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.472076848059 0.216643212759 0.493957400294} O1 1 1
14 {} {0.333621822153 0.2156389337 0.582518592254} Si1 2 1
14 {} {0.605579086055 0.298399052084 0.444541267279} Si2 3 1
8 {} {0.567889452539 0.452417535026 0.400768424527} O2 4 1
8 {} {0.323234634916 0.349195160937 0.67816132879} O3 5 1
14 {} {0.299005251475 0.511904380609 0.673190001153} Si3 6 1
14 {} {0.510288140474 0.597695545323 0.451890618083} Si4 7 1
1 {} {0.335794449564 0.0969625014976 0.671536854265} H1 8 1
1 {} {0.218274586026 0.212912475561 0.488150111884} H2 9 1
1 {} {0.659492367249 0.229134479619 0.324964296688} H3 10 1
1 {} {0.704565694634 0.302205624231 0.556102968676} H4 11 1
1 {} {0.153966861114 0.54069623883 0.659039710842} H5 12 1
1 {} {0.355381636857 0.568245843829 0.798521586905} H6 13 1
1 {} {0.319147240045 0.904150347797 0.425395535717} H7 14 1
1 {} {0.474057739744 0.676550619892 0.331885173256} H8 15 1
1 {} {0.614674866196 0.66537188227 0.533738915347} H10 16 1
8 {} {0.374504971895 0.578509310671 0.542591946823} O 17 1
1 {} {0.288530459497 0.855884774912 0.47410298165} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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