iterations/neb0_image08_iter188.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 {} {0.471093914823 0.227810154041 0.493259366943} O1 1 1
14 {} {0.32998424251 0.220385950092 0.576601813408} Si1 2 1
14 {} {0.612033241804 0.299414892774 0.450032729503} Si2 3 1
8 {} {0.589525260718 0.457824582307 0.41289533709} O2 4 1
8 {} {0.313640900791 0.348006768273 0.679410116619} O3 5 1
14 {} {0.300598881668 0.512081041154 0.671814779458} Si3 6 1
14 {} {0.512605282239 0.597789622709 0.449850960419} Si4 7 1
1 {} {0.331063667114 0.097397985837 0.659284529527} H1 8 1
1 {} {0.218335926851 0.221363841732 0.477969166682} H2 9 1
1 {} {0.663552343443 0.231220931814 0.32867929612} H3 10 1
1 {} {0.708079725758 0.290515652103 0.563444959193} H4 11 1
1 {} {0.157230692708 0.55001007585 0.661907037615} H5 12 1
1 {} {0.363381168715 0.567929282108 0.794290189343} H6 13 1
1 {} {0.314480309437 0.897858552085 0.469669392503} H7 14 1
1 {} {0.470536481963 0.661842363394 0.323231911734} H8 15 1
1 {} {0.604755698295 0.684674746326 0.527631807772} H10 16 1
8 {} {0.377319864015 0.568375375906 0.538173965732} O 17 1
1 {} {0.271868659238 0.838016048673 0.452910426978} 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