./iterations/neb0_image05_iter64.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46853532308 0.22196768734 0.482672313793} O1 1 1
14 {} {0.331477804111 0.229111940988 0.573143044313} Si1 2 1
14 {} {0.589605185968 0.328173782425 0.442676242076} Si2 3 1
8 {} {0.525686062534 0.475866646725 0.413667418926} O2 4 1
8 {} {0.330575336779 0.362044947541 0.671159631798} O3 5 1
14 {} {0.287684224912 0.517867123647 0.687528610505} Si3 6 1
14 {} {0.503540944638 0.6418879193 0.431459357847} Si4 7 1
1 {} {0.329319772856 0.111893964065 0.664388419812} H1 8 1
1 {} {0.213441706776 0.232753416588 0.480817993553} H2 9 1
1 {} {0.654058171368 0.272458964769 0.319887343798} H3 10 1
1 {} {0.688801842661 0.340567276617 0.555226560928} H4 11 1
1 {} {0.142926092173 0.537582508119 0.683469644725} H5 12 1
1 {} {0.345818280431 0.56988660358 0.811433926601} H6 13 1
1 {} {0.393768776974 0.762701869054 0.424761664818} H7 14 1
1 {} {0.531392537804 0.680081883092 0.290462014347} H8 15 1
1 {} {0.599141733057 0.695937370937 0.533079593316} H10 16 1
8 {} {0.347136623016 0.599277644217 0.554474226699} O 17 1
1 {} {0.327175687728 0.692456403913 0.510749971599} 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